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Isoform 2 of Heterogeneous nuclear ribonucleoprotein Q AlphaSync

Canonical isoform description: Transcriptional activator that binds DNA on GAGA-like motif and 5'-(C/G)ACGTG(G/T)C(A/G)-3' consensus motif in the promoters of target genes1. Component of ribonucleosomes, which are complexes of at least 20 other different heterogeneous nuclear ribonucleoproteins (hnRNP). hnRNP play an important role in processing of precursor mRNA in the nucleus (By similarity). Required during flower development and for cell fate determination2. Acts both as an antagonist and as a promoter of polycomb LHP1 gene regulation activity, depending of target genes, to regulate the transcription of stress-responsive and flowering genes3,4. May regulate histone H3 trimethylation on lysine 27 (H3K27me3)5. Recognizes and binds histone H3 tails methylated at 'Lys-4' (H3K4me) and acetylated at 'Lys-9' (H3K9ac), leading to epigenetic activation. When in complex with LHP1, recognizes and binds histone H3 tails methylated at 'Lys-4' (H3K4me) and 'Lys-27' (H3K27me), mostly corresponding to stress-responsive genes6. May function as a suppressor of cell-autonomous immune responses involving glucosinolates, salicylic acid (SA) and jasmonic acid (JA) pathways toward pathogenic bacteria and fungi7.

AlphaFold DB , UniProt , Accession Q9ASP6-2 (canonical: Q9ASP6), Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene LIF2, Length 495 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.5Very low47.7Very low234 Ų234160.8 Ų160.8100%1.15383%0.83SS**  0126.90-75.1166.7160.900106.2
2S46.8Very low47.8Very low102 Ų102158.3 Ų158.371%0.71382%0.818SS**  trans35.9136.3155.7560000120.5
3D45.1Very low47.5Very low148 Ų148162.4 Ų162.479%0.79183%0.827SS**  cis-165.7123.3-11.3-99.9-63.3000103.7
4A48.7Very low47.9Very low79 Ų79164.6 Ų164.665%0.65383%0.832SS**  65.892.890.900000115.7
5R49.2Very low47.4Very low241 Ų241167.1 Ų167.191%0.90984%0.84SS**  165.4127.9104-90.2170.9-179148.93.5114.1
6D48Very low47.2Very low146 Ų146161.4 Ų161.478%0.78184%0.837SS**  trans-73.9158.3161.2-47.5-87.3000111.6
7N52.9Low46.7Very low169 Ų169159.3 Ų159.390%0.90484%0.839SS**  -174.1139.4107.4-92.7-18000111.6
8D48.5Very low46.2Very low150 Ų150162.2 Ų162.280%0.80284%0.838SS**  trans-113.2171.2-179.5-160.73.9000110
9D46.5Very low46.1Very low153 Ų153159.2 Ų159.282%0.81883%0.833SS**  trans-31.7140.6-178.5-72.9-33.8000117.9
10R50.7Low45.7Very low219 Ų219159.6 Ų159.683%0.82683%0.83SS**  -170.4136.2121-166.3162.4177.3129.5-1.6113.1D12R10-D12 IonicContact NE-OD2 3.82Å; R10-D12 PolarHBondContact NE-OD2 3.14Å; R10-D12 IonicContact NH2-OD2 2.68Å
11V45.1Very low45.5Very low128 Ų128160.1 Ų160.178%0.77683%0.831SS**  trans-98.5138.7167.7-72.50000110.9
12D48.6Very low45.3Very low130 Ų130156.2 Ų156.270%0.69581%0.81SS**  trans-155.6124.6158.6-85.1-52.8000106.4R10R10-D12 IonicContact NE-OD2 3.82Å; R10-D12 PolarHBondContact NE-OD2 3.14Å; R10-D12 IonicContact NH2-OD2 2.68Å
13F44.4Very low45Very low212 Ų212153.9 Ų153.993%0.9379%0.789SS**  trans-126.2109.6174.8-106.9-81.9000108.1
14E52.2Low44.8Very low193 Ų193156.1 Ų156.190%0.90280%0.795SS**  trans-86.5155.3177.6-71.8-172.1144.200112.6
15E41.2Very low44.5Very low202 Ų202158 Ų15894%0.94480%0.798SS**  trans-85.4125.8-173-172.8171.7-166.800111.1
16G43Very low44.1Very low77 Ų77155.9 Ų155.979%0.79480%0.799SS**  trans-113.1116.6-173.900000113.3
17S39.7Very low43.5Very low125 Ų125157.8 Ų157.887%0.87480%0.803SS**  trans-62.4144.4-173.9-168.80000115
18Y37.9Very low43Very low211 Ų211159 Ų15983%0.82780%0.803SS**  trans-80.3154.7169.2-159.2-107000110.9
19S43.2Very low42.4Very low105 Ų105160.9 Ų160.973%0.73481%0.807SS**  trans-146.6130.5173.260.70000111
20E37.8Very low42.1Very low167 Ų167160 Ų16078%0.7881%0.807SS**  trans-70.1152.7-177.2-65.6150.7132.400113.7
21M43.2Very low41.6Very low172 Ų172157.2 Ų157.285%0.84780%0.803SS**  trans-146148.5153.9-73.9-163.7-178.900110.2
22E37.8Very low41.2Very low151 Ų151160 Ų16071%0.70681%0.808SS**  trans-125.3135.4-170.7-63.8172.1156.200110.9Y381E22-Y381 HydrophobicContact CB-CD1 4.18Å
23D41.9Very low40.8Very low53 Ų53163.2 Ų163.228%0.28381%0.812SS.*  trans-142.1139.2152.6-50.2-102.9000111.1Y381 G382 A383 A384D23-Y381 WeakPolarHBondContact O-CA 3.43Å; D23-Y381 WeakPolarHBondContact O-CD1 3.37Å; D23-G382 VanDerWaalsContact OD2-CA 3.27Å; D23-G382 WeakPolarHBondContact OD2-CA 3.33Å; D23-A383 WeakPolarHBondContact OD1-CA 3.47Å; D23-A384 PolarHBondContact OD1-N 2.78Å
24E40.8Very low40.6Very low195 Ų195161.4 Ų161.491%0.91181%0.806SS**  trans-76.9168.3-172.1-64.5163.612300114.1
25V42Very low40Very low119 Ų119161.4 Ų161.472%0.72181%0.806SS**  trans-118.4135.6174.3-146.20000109.1
26E40.9Very low40.1Very low197 Ų197160 Ų16092%0.92180%0.8SS**  trans-75.7149.3176.7-73.2-173.2140.300112.7
27E35Very low40.1Very low185 Ų185165.4 Ų165.486%0.86481%0.805SS**  trans-84.3127.1-176-57.4173.8160.800112.2
28E42.8Very low40.3Very low195 Ų195168 Ų16891%0.91180%0.803SS**  trans-110.6126.5156-84.7-164.8146.400110.2
29Q35.6Very low40.4Very low189 Ų189166.3 Ų166.388%0.88380%0.802SS**  trans-71.9130.7178.5-68.7149.567.200110.7
30V39.9Very low40.7Very low136 Ų136168.6 Ų168.682%0.82481%0.806SS**  trans-136.2139159.6-170.30000108.1
31E40.6Very low40.8Very low159 Ų159168 Ų16874%0.74381%0.808SS**  trans-79.3156.8-154.6-57.7-176.1149.800115
32E35.6Very low41.2Very low188 Ų188167.5 Ų167.588%0.87981%0.809SS**  trans-58.1131.9165.9-85.4169.4136.900110.6
33Y40.3Very low41.5Very low196 Ų196167.9 Ų167.977%0.76982%0.816SS**  trans-116.9111.6160.9-73.3-84.8000107.7
34E40.1Very low41.8Very low175 Ų175173.3 Ų173.382%0.81885%0.845SS**  trans-71.4120.2168.7-62.6174.4133.600107.6E36E34-E36 PolarHBondContact O-N 2.69Å
35E41.2Very low42Very low193 Ų193170.4 Ų170.490%0.90284%0.836SS**  trans-83.3101.9165.9-75.9-174.8158.600107.5
36E43.5Very low42.4Very low173 Ų173171 Ų17181%0.80884%0.84SS**  trans-68.5137.5171.9-63.3-174.6143.100109.8E34 E38E34-E36 PolarHBondContact O-N 2.69Å; E36-E38 PolarHBondContact O-N 2.82Å
37E41.4Very low42.3Very low190 Ų190164.7 Ų164.789%0.88883%0.827SS**  trans-74.4115.7173.3-63.1-174.2162.200109.1E39E37-E39 PolarHBondContact O-N 2.92Å
38E44.6Very low42.6Very low180 Ų180163.6 Ų163.684%0.84183%0.828SS**  trans-81.9108.6171.9-70.1-162.8155.700110.5E36 D40E36-E38 PolarHBondContact O-N 2.82Å; E38-D40 PolarHBondContact O-N 3.04Å
39E40.9Very low42.5Very low175 Ų175162.3 Ų162.382%0.81882%0.821SS**  trans-77.898.3166.5-66.1-179.9144.600109.7E37 D41E37-E39 PolarHBondContact O-N 2.92Å; E39-D41 PolarHBondContact O-N 3.14Å; E39-D41 VanDerWaalsContact O-N 3.11Å
40D48.4Very low42.7Very low153 Ų153161.3 Ų161.382%0.81882%0.822SS**  trans-80.479.2169.8-86.4-27.8000111E38E38-D40 PolarHBondContact O-N 3.04Å
41D40.9Very low42.5Very low153 Ų153159.3 Ų159.382%0.81882%0.82SS**  trans-84.1109.2160.2-94.9-22.6000109.4E39E39-D41 PolarHBondContact O-N 3.14Å; E39-D41 VanDerWaalsContact O-N 3.11Å
42D51.7Low42.7Very low163 Ų163159.5 Ų159.587%0.87282%0.821SS**  trans-133.693.1166-110.3-21.3000110
43D44.3Very low42.9Very low159 Ų159159.3 Ų159.385%0.8582%0.82SS**  trans-63.3132.6160.8-89.9-49.5000109.5
44D48.1Very low43Very low167 Ų167160.3 Ų160.389%0.89382%0.822SS**  trans-157.9135.2130.9-117.9-24.6000114.7
45D44.8Very low43Very low133 Ų133160.4 Ų160.471%0.71182%0.823SS**  trans-64.4146.4178172.744.4000113
46V49.2Very low42.9Very low132 Ų132157.3 Ų157.380%0.882%0.817SS**  -175108.3119.2168.60000107.9
47G39.7Very low42.9Very low64 Ų64156.8 Ų156.866%0.6681%0.814SS**  trans-73159.9174.700000114.5
48N41.1Very low42.8Very low163 Ų163154.7 Ų154.787%0.87281%0.809SS**  trans-140.8137.1150.1-167.823.6000111.3
49Q39.7Very low42.8Very low167 Ų167155.6 Ų155.678%0.7881%0.806SS**  trans-91.4142.2-179.5-61.4164.85.500109.2
50N40.5Very low42.8Very low168 Ų168150.1 Ų150.190%0.89880%0.797SS**  trans-169.4122.1132.6-98-22.9000110.7
51A36.2Very low42.3Very low94 Ų94149.3 Ų149.378%0.77779%0.792SS**  trans-89.5136.8162.600000108.9
52E43.5Very low42.4Very low164 Ų164148.4 Ų148.477%0.76679%0.793SS**  trans-135.6119.6146-80.4-154-178.100108.8R54E52-R54 IonicContact OE2-NH2 2.74Å; E52-R54 PolarHBondContact OE2-NH2 2.93Å; E52-R54 VanDerWaalsContact OE2-NH2 3.14Å
53E40.3Very low42Very low183 Ų183149 Ų14986%0.85579%0.787SS**  trans-68.5144.2165.8-57.4164.2148.500108.9
54R42.9Very low41.6Very low217 Ų217145.5 Ų145.582%0.81979%0.789SS**  trans-154.7127.2151-130.4168.8-89.5-159.62.4113.7E52E52-R54 IonicContact OE2-NH2 2.74Å; E52-R54 PolarHBondContact OE2-NH2 2.93Å; E52-R54 VanDerWaalsContact OE2-NH2 3.14Å
55E40.1Very low41.1Very low178 Ų178141.2 Ų141.283%0.83278%0.784SS**  trans-78.6153.1179.7-66.4179.7134.800112.4
56V39.7Very low40.8Very low127 Ų127142.7 Ų142.777%0.7779%0.792SS**  trans45.3122.4138.5-179.30000119
57E42Very low40.7Very low163 Ų163144.4 Ų144.476%0.76279%0.793SS**  -149.8147.3124.6-78.3-144.5154.300111.4Y59E57-Y59 HydrophobicContact CB-CE2 4.34Å; E57-Y59 WeakPolarHBondContact OE2-CE2 3.38Å
58D40.3Very low41Very low145 Ų145149.3 Ų149.378%0.77580%0.799SS**  trans-109.2125.7-176.7161.242.2000110.4
59Y45.1Very low40.9Very low199 Ų199149 Ų14978%0.7880%0.797SS**  trans-154.1142.9168-69.7-90.1000108.5E57E57-Y59 HydrophobicContact CB-CE2 4.34Å; E57-Y59 WeakPolarHBondContact OE2-CE2 3.38Å
60G40.8Very low41.1Very low60 Ų60147.4 Ų147.462%0.61980%0.799SS**  cis178140.4-5.200000110.8
61D37.2Very low41Very low137 Ų137147.8 Ų147.873%0.73380%0.795SS**  trans-54.3134.5177.1176.629.6000112.1
62T43.5Very low41.4Very low134 Ų134152.4 Ų152.482%0.82280%0.8SS**  trans-135105169.3-480000110.4
63K43.4Very low41.1Very low175 Ų175152.3 Ų152.376%0.76180%0.8SS**  trans-81148176.8-66.2179.4178.9177.10113.1
64G35.5Very low41.2Very low85 Ų85151.3 Ų151.388%0.87680%0.799SS**  trans84.8122130.700000117.5
65G37.4Very low41.2Very low77 Ų77145.7 Ų145.779%0.79480%0.799SS**  trans-171.888.1170.300000110.9
66D38.5Very low41.2Very low165 Ų165145.8 Ų145.888%0.88280%0.799SS**  trans-72.1137.2169.3-64.1-70.2000110.8
67M47.4Very low41.6Very low167 Ų167147.4 Ų147.482%0.82380%0.804SS**  trans-179.6143.3162.5-103.7169.4-175.200108.2
68E45.2Very low41.8Very low168 Ų168147 Ų14779%0.78581%0.807SS**  cis-163.2156.5-23.1-128.5170.5-162.800106.4
69D39.8Very low42.1Very low156 Ų156147.1 Ų147.183%0.83481%0.808SS**  trans-64.2137.7-176-68.4-69.5000113.9
70V44.7Very low42.3Very low134 Ų134145.3 Ų145.381%0.81281%0.811SS**  trans-137.1104.2154.7-175.10000109.9
71Q37.1Very low42.4Very low175 Ų175149.9 Ų149.982%0.81882%0.816SS**  trans-93.5132.3159.8-71.4173.9-31.600108.6
72E44.2Very low43Very low191 Ų191150.2 Ų150.289%0.89382%0.816SS**  trans-128.2132.2154.5-78.6-166.1144.900108.9
73E39.2Very low42.9Very low163 Ų163149.9 Ų149.976%0.76281%0.81SS**  trans-104178.7-177.4-65.8-172.2159.500111.7
74I41.1Very low43.3Very low162 Ų162148.9 Ų148.983%0.83181%0.811SS**  trans84.1101.3159.8-48.1167.9000116.4
75A42.5Very low43.8Very low99 Ų99153 Ų15382%0.81881%0.808SS**  -159.3116.7109.400000110.4
76E41.1Very low43.9Very low179 Ų179156.6 Ų156.684%0.83681%0.814SS**  trans-81.2138.5165.9-59.8174153.400108.6
77D46.9Very low44.3Very low162 Ų162152.8 Ų152.887%0.86681%0.806SS**  165.7144.9127-88.9-24.4000114.1
78D47.8Very low44.3Very low155 Ų155151.6 Ų151.683%0.82980%0.803SS**  trans100.2123.1155.4-14311.6000119.6
79D46.8Very low44.3Very low147 Ų147151 Ų15179%0.78681%0.805SS**  trans-86136-166.9-70.6-62.5000112.1
80N47.4Very low44.7Very low161 Ų161150.6 Ų150.686%0.86180%0.803SS**  trans-148.3102.4150.1-95.9-64.6000112.2I82N80-I82 PolarHBondContact O-N 3.26Å
81H44.6Very low44.8Very low155 Ų155152.4 Ų152.472%0.71880%0.802SS**  trans-67.5115.2177.6-168.3-52.7000111.2D83H81-D83 IonicContact CE1-OD1 3.82Å; H81-D83 PolarHBondContact CE1-OD1 3.33Å; H81-D83 VanDerWaalsContact CE1-OD1 3.27Å; H81-D83 IonicContact CE1-OD2 3Å; H81-D83 PolarHBondContact CE1-OD2 2.83Å; H81-D83 IonicContact ND1-OD1 2.65Å; H81-D83 IonicContact ND1-OD2 3.97Å; H81-D83 PolarHBondContact ND1-OD2 3.31Å
82I49.5Very low45.1Very low144 Ų144153.3 Ų153.374%0.73880%0.804SS**  trans-130.9113.5161.8-60.3-177.7000107.6N80 I84N80-I82 PolarHBondContact O-N 3.26Å; I82-I84 PolarHBondContact O-N 3.16Å
83D41.2Very low45.1Very low128 Ų128149.2 Ų149.268%0.68479%0.793SS**  trans-64.2122.4171.5-59.1-77.7000109.8H81H81-D83 IonicContact CE1-OD1 3.82Å; H81-D83 PolarHBondContact CE1-OD1 3.33Å; H81-D83 VanDerWaalsContact CE1-OD1 3.27Å; H81-D83 IonicContact CE1-OD2 3Å; H81-D83 PolarHBondContact CE1-OD2 2.83Å; H81-D83 IonicContact ND1-OD1 2.65Å; H81-D83 IonicContact ND1-OD2 3.97Å; H81-D83 PolarHBondContact ND1-OD2 3.31Å
84I50.7Low45.5Very low153 Ų153147 Ų14779%0.78579%0.794SS**  trans-116.6108.5160.5-66.2-177.5000106.4I82I82-I84 PolarHBondContact O-N 3.16Å
85E46.1Very low45.9Very low173 Ų173142.6 Ų142.681%0.80878%0.777SS**  trans-59.8137.2-178.6-62.9-179.2141.800110.6A87E85-A87 VanDerWaalsContact C-N 3.31Å; E85-A87 PolarHBondContact O-N 3.49Å
86T39.6Very low46.3Very low151 Ų151144.2 Ų144.293%0.92678%0.779SS**  trans-74.187.8171.6-19.50000107.8
87A47.7Very low47.2Very low85 Ų85139 Ų13970%0.70276%0.756SS**  trans-94.2101.6-177.100000111.3E85E85-A87 VanDerWaalsContact C-N 3.31Å; E85-A87 PolarHBondContact O-N 3.49Å
88D47.4Very low48.1Very low142 Ų142136.1 Ų136.176%0.75974%0.741SS**  trans31.3101.7151.2-58-47.5000118.5D90D88-D90 PolarHBondContact O-N 3.25Å
89D45.7Very low49Very low156 Ų156133.5 Ų133.583%0.83473%0.727SS**  trans-71.377.9161.1-168.819.9000109.5E91D89-E91 VanDerWaalsContact C-N 3.32Å; D89-E91 PolarHBondContact O-N 2.61Å
90D48.2Very low50.1Low148 Ų148132.1 Ų132.179%0.79172%0.716SS**  trans-71.284.5178.8-106-29.2000110.6D88 K92D88-D90 PolarHBondContact O-N 3.25Å; D90-K92 PolarHBondContact O-N 3.43Å
91E46.1Very low51.5Low171 Ų171126 Ų12680%0.79968%0.683SS**  trans-51.5100.8169.1-71.4-171.5133.800110.8D89 P93D89-E91 VanDerWaalsContact C-N 3.32Å; D89-E91 PolarHBondContact O-N 2.61Å; E91-P93 WeakPolarHBondContact O-CD 3.39Å
92K43.8Very low53.2Low195 Ų195125.2 Ų125.285%0.84867%0.673SS**  trans-85.6106.8165.9-168.6173-174.31770108.8D90D90-K92 PolarHBondContact O-N 3.43Å
93P44.4Very low54.7Low104 Ų104125.3 Ų125.368%0.67567%0.671SS**PPolyproline II helixtrans-62.4137.1-179.525.9-34.4000109.8E91E91-P93 WeakPolarHBondContact O-CD 3.39Å
94P47.5Very low56.7Low118 Ų118123.1 Ų123.177%0.76666%0.655SS**PPolyproline II helixtrans-58.6144.416826.5-32.9000108.9
95S48Very low58.3Low69 Ų69117.1 Ų117.148%0.48362%0.623SS.*PPolyproline II helixtrans-52.2143.1174.527.90000110.1I97S95-I97 PolarHBondContact O-N 3.34Å
96P52.1Low60.2Low133 Ų133112.6 Ų112.686%0.86461%0.61SS**  trans-71.382.1-179.530-34.8000110D98P96-D98 PolarHBondContact O-N 3.46Å
97I59.7Low62.4Low68 Ų68111 Ų11135%0.34959%0.592SS.*  trans-62.8115.7158.7-61170.5000105.3S95 D101 R102 Y105S95-I97 PolarHBondContact O-N 3.34Å; I97-D101 HydrophobicContact CG2-CB 3.73Å; I97-R102 PolarHBondContact O-NH2 2.86Å; I97-Y105 HydrophobicContact CD1-CE2 4.26Å; I97-Y105 HydrophobicContact CG2-CE2 4.09Å
98D65.8Low64.1Low102 Ų102107.9 Ų107.955%0.54556%0.563SS.*  trans-49.6141.6177.1-160.8-15.2000109.7P96 E100 D101 R102P96-D98 PolarHBondContact O-N 3.46Å; D98-E100 PolarHBondContact O-N 2.79Å; D98-E100 VanDerWaalsContact O-N 3.15Å; D98-D101 WeakPolarHBondContact O-CA 3.48Å; D98-D101 PolarHBondContact O-N 3.49Å; D98-R102 PolarHBondContact O-N 3.33Å
99D67Low65.9Low101 Ų101104.8 Ų104.854%0.5455%0.547SS..Hα-helixtrans-60.3-31.3-175.6-70.4-40.4000110.6D101 R102 E103D99-D101 PolarHBondContact O-N 3.02Å; D99-R102 PolarHBondContact O-N 3.29Å; D99-R102 IonicContact OD1-CZ 2.66Å; D99-R102 IonicContact OD1-NH1 3.09Å; D99-R102 PolarHBondContact OD1-NH1 2.87Å; D99-R102 IonicContact OD1-NH2 3.88Å; D99-R102 PolarHBondContact OD1-NH2 3.43Å; D99-E103 PolarHBondContact O-N 3.06Å
100E70.2Confident67.7Low118 Ų118101.1 Ų101.155%0.55153%0.533SS*.Hα-helixtrans-60-40.8170.5-65.2-164.1-175.300113.7D98 R102 K104D98-E100 PolarHBondContact O-N 2.79Å; D98-E100 VanDerWaalsContact O-N 3.15Å; E100-R102 VanDerWaalsContact C-N 3.34Å; E100-K104 VanDerWaalsContact O-CD 3.28Å; E100-K104 WeakPolarHBondContact O-CD 3.3Å; E100-K104 WeakPolarHBondContact O-CE 3.43Å; E100-K104 WeakPolarHBondContact O-CG 3.31Å; E100-K104 PolarHBondContact O-N 2.78Å; E100-K104 IonicContact OE2-NZ 3.43Å; E100-K104 PolarHBondContact OE2-NZ 3.15Å
101D76.9Confident69.3Low32 Ų3294.9 Ų94.917%0.17150%0.5CS..Hα-helixtrans-72.7-32.2178.4-93-1.3000110.2I97 D98 D99 K104 Y105 Y254 K258I97-D101 HydrophobicContact CG2-CB 3.73Å; D98-D101 WeakPolarHBondContact O-CA 3.48Å; D98-D101 PolarHBondContact O-N 3.49Å; D99-D101 PolarHBondContact O-N 3.02Å; D101-K104 PolarHBondContact O-N 3.02Å; D101-K104 IonicContact OD1-NZ 2.79Å; D101-Y105 HydrophobicContact CB-CE1 4.11Å; D101-Y105 WeakPolarHBondContact O-CB 3.19Å; D101-Y105 WeakPolarHBondContact O-CD1 3.25Å; D101-Y105 PolarHBondContact O-N 2.8Å; D101-Y254 VanDerWaalsContact CG-OH 3.26Å; D101-Y254 PolarHBondContact OD1-OH 2.67Å; D101-Y254 PolarHBondContact OD2-OH 3.07Å; D101-K258 IonicContact OD2-NZ 3.27Å; D101-K258 PolarHBondContact OD2-NZ 3.47Å
102R78.7Confident71Confident138 Ų13887.8 Ų87.852%0.52147%0.468SS..Hα-helixtrans-63.7-42.9173.3-163.6-177.2-52.8118.821.5112.5I97 D98 D99 E100 Y105 S106I97-R102 PolarHBondContact O-NH2 2.86Å; D98-R102 PolarHBondContact O-N 3.33Å; D99-R102 PolarHBondContact O-N 3.29Å; D99-R102 IonicContact OD1-CZ 2.66Å; D99-R102 IonicContact OD1-NH1 3.09Å; D99-R102 PolarHBondContact OD1-NH1 2.87Å; D99-R102 IonicContact OD1-NH2 3.88Å; D99-R102 PolarHBondContact OD1-NH2 3.43Å; E100-R102 VanDerWaalsContact C-N 3.34Å; R102-Y105 PolarHBondContact O-N 2.73Å; R102-S106 PolarHBondContact O-N 2.87Å
103E81.5Confident72.7Confident146 Ų14680.1 Ų80.168%0.68244%0.438SS*.Hα-helixtrans-65.2-43.3174.5-71.5-175177.500112D99 Y105 S106 H107D99-E103 PolarHBondContact O-N 3.06Å; E103-Y105 VanDerWaalsContact C-N 3.29Å; E103-Y105 PolarHBondContact O-N 3.15Å; E103-S106 PolarHBondContact O-N 3.24Å; E103-S106 PolarHBondContact O-OG 3.37Å; E103-H107 PolarHBondContact O-N 3.4Å
104K83.1Confident74.3Confident82 Ų8277.4 Ų77.436%0.35742%0.417SS..Hα-helixtrans-60.4-40.8173.7-68.4160.2-156.8158.60110.7E100 D101 H107 L108E100-K104 VanDerWaalsContact O-CD 3.28Å; E100-K104 WeakPolarHBondContact O-CD 3.3Å; E100-K104 WeakPolarHBondContact O-CE 3.43Å; E100-K104 WeakPolarHBondContact O-CG 3.31Å; E100-K104 PolarHBondContact O-N 2.78Å; E100-K104 IonicContact OE2-NZ 3.43Å; E100-K104 PolarHBondContact OE2-NZ 3.15Å; D101-K104 PolarHBondContact O-N 3.02Å; D101-K104 IonicContact OD1-NZ 2.79Å; K104-H107 PolarHBondContact O-N 2.96Å; K104-L108 WeakPolarHBondContact O-CB 3.4Å; K104-L108 WeakPolarHBondContact O-CG 3.08Å; K104-L108 PolarHBondContact O-N 3.37Å
105Y85.2Confident75.8Confident28 Ų2872.6 Ų72.611%0.1139%0.388CS..Hα-helixtrans-67.1-41.9-179.7-69.47.1000111.7I97 D101 R102 E103 L108 L109 V219 P221 Y254 K258I97-Y105 HydrophobicContact CD1-CE2 4.26Å; I97-Y105 HydrophobicContact CG2-CE2 4.09Å; D101-Y105 HydrophobicContact CB-CE1 4.11Å; D101-Y105 WeakPolarHBondContact O-CB 3.19Å; D101-Y105 WeakPolarHBondContact O-CD1 3.25Å; D101-Y105 PolarHBondContact O-N 2.8Å; R102-Y105 PolarHBondContact O-N 2.73Å; E103-Y105 VanDerWaalsContact C-N 3.29Å; E103-Y105 PolarHBondContact O-N 3.15Å; Y105-L108 PolarHBondContact O-N 3.3Å; Y105-L109 WeakPolarHBondContact O-CB 3.35Å; Y105-L109 VanDerWaalsContact O-CG 3.31Å; Y105-L109 WeakPolarHBondContact O-CG 3.22Å; Y105-L109 PolarHBondContact O-N 2.81Å; Y105-V219 PolarHBondContact OH-O 3.49Å; Y105-P221 HydrophobicContact CD1-CG 3.82Å; Y105-P221 HydrophobicContact CD2-CB 4.27Å; Y105-P221 HydrophobicContact CD2-CG 4.3Å; Y105-P221 HydrophobicContact CE1-CG 4.47Å; Y105-P221 HydrophobicContact CG-CB 4.12Å; Y105-P221 HydrophobicContact CG-CG 3.74Å; Y105-Y254 HydrophobicContact CD1-CE1 4.31Å; Y105-Y254 HydrophobicContact CE1-CD1 4.48Å; Y105-Y254 AromaticContact CE1-CE1 3.53Å; Y105-Y254 HydrophobicContact CE1-CE1 3.53Å; Y105-Y254 AromaticContact CE1-CZ 3.69Å; Y105-Y254 WeakPolarHBondContact CE1-OH 3.37Å; Y105-K258 PolarHBondContact OH-NZ 3.18Å; Y105-K258 VanDerWaalsContact OH-NZ 3.14Å
106S85.1Confident77.5Confident77 Ų7769.3 Ų69.354%0.53837%0.366SS..Hα-helixtrans-65-41.1176.470.30000111.6R102 E103 L109 S110R102-S106 PolarHBondContact O-N 2.87Å; E103-S106 PolarHBondContact O-N 3.24Å; E103-S106 PolarHBondContact O-OG 3.37Å; S106-L109 PolarHBondContact O-N 3.17Å; S106-S110 WeakPolarHBondContact O-CB 3.38Å; S106-S110 PolarHBondContact O-N 3.06Å
107H86.2Confident79.1Confident117 Ų11764.1 Ų64.154%0.54233%0.33SS..Hα-helixtrans-61.3-50.3173.3-177.6-92.5000111.7E103 K104 L109 S110 L111E103-H107 PolarHBondContact O-N 3.4Å; K104-H107 PolarHBondContact O-N 2.96Å; H107-L109 VanDerWaalsContact C-N 3.28Å; H107-L109 PolarHBondContact O-N 2.98Å; H107-S110 WeakPolarHBondContact O-CB 3.28Å; H107-S110 PolarHBondContact O-N 2.68Å; H107-S110 PolarHBondContact O-OG 3Å; H107-L111 PolarHBondContact O-N 3.02Å
108L84.4Confident80.4Confident20 Ų2060.9 Ų60.911%0.10531%0.313CS..Hα-helixtrans-60.1-35.8179.8-69.5168.4000112.8K104 Y105 L111 P221 N248 A250 Y254K104-L108 WeakPolarHBondContact O-CB 3.4Å; K104-L108 WeakPolarHBondContact O-CG 3.08Å; K104-L108 PolarHBondContact O-N 3.37Å; Y105-L108 PolarHBondContact O-N 3.3Å; L108-L111 HydrophobicContact CD2-CD1 4.37Å; L108-P221 HydrophobicContact CB-CG 4.49Å; L108-P221 HydrophobicContact CD1-CG 4.37Å; L108-N248 PolarHBondContact O-ND2 3.45Å; L108-A250 HydrophobicContact CD2-CB 3.61Å; L108-Y254 HydrophobicContact CD1-CD1 4.08Å; L108-Y254 HydrophobicContact CD1-CD2 3.73Å; L108-Y254 HydrophobicContact CD1-CE2 4.36Å; L108-Y254 HydrophobicContact CD1-CG 3.57Å
109L83.6Confident81.4Confident78 Ų7858.9 Ų58.941%0.40830%0.3SS..Hα-helixtrans-78.5-18.2175.7-69.4173.2000113.8Y105 S106 H107 L111 P221 Y247Y105-L109 WeakPolarHBondContact O-CB 3.35Å; Y105-L109 VanDerWaalsContact O-CG 3.31Å; Y105-L109 WeakPolarHBondContact O-CG 3.22Å; Y105-L109 PolarHBondContact O-N 2.81Å; S106-L109 PolarHBondContact O-N 3.17Å; H107-L109 VanDerWaalsContact C-N 3.28Å; H107-L109 PolarHBondContact O-N 2.98Å; L109-L111 VanDerWaalsContact C-N 3.33Å; L109-P221 HydrophobicContact CD1-CB 3.98Å; L109-P221 HydrophobicContact CD2-CB 4.19Å; L109-P221 HydrophobicContact CG-CB 4.04Å; L109-P221 HydrophobicContact CG-CG 4.46Å; L109-Y247 HydrophobicContact CD2-CD1 4.43Å
110S83.5Confident82.4Confident79 Ų7954.1 Ų54.155%0.55227%0.274SS*.Hα-helixtrans-78.5-15.8174.676.10000113.9S106 H107S106-S110 WeakPolarHBondContact O-CB 3.38Å; S106-S110 PolarHBondContact O-N 3.06Å; H107-S110 WeakPolarHBondContact O-CB 3.28Å; H107-S110 PolarHBondContact O-N 2.68Å; H107-S110 PolarHBondContact O-OG 3Å
111L83.4Confident83.1Confident17 Ų1748.7 Ų48.79%0.08925%0.25CC..SBendtrans-72.5147.4177.6-57.7170.9000110.9H107 L108 L109 F143 N248 A250H107-L111 PolarHBondContact O-N 3.02Å; L108-L111 HydrophobicContact CD2-CD1 4.37Å; L109-L111 VanDerWaalsContact C-N 3.33Å; L111-F143 HydrophobicContact CD2-CD1 4.31Å; L111-F143 HydrophobicContact CD2-CE1 3.27Å; L111-F143 HydrophobicContact CD2-CZ 3.57Å; L111-N248 PolarHBondContact O-ND2 3.26Å; L111-A250 HydrophobicContact CD1-CB 3.28Å
112P79.9Confident83.3Confident21 Ų2148.9 Ų48.914%0.13626%0.259CS..PPolyproline II helixtrans-51.2147.3-176.2-28.634.8000114.5F143 F164 N248P112-F143 HydrophobicContact CG-CB 3.95Å; P112-F143 HydrophobicContact CG-CD1 4.27Å; P112-F143 HydrophobicContact CG-CD2 3.73Å; P112-F143 HydrophobicContact CG-CE2 4.36Å; P112-F143 HydrophobicContact CG-CG 3.69Å; P112-F164 WeakPolarHBondContact CB-O 3.26Å; P112-F164 WeakPolarHBondContact CG-O 3.49Å; P112-N248 VanDerWaalsContact O-CB 3.23Å; P112-N248 WeakPolarHBondContact O-CB 3.18Å
113P79.8Confident83.6Confident34 Ų3442.7 Ų42.722%0.22124%0.237CC..PPolyproline II helixtrans-64.9158.8178.527.6-35.7000112.3S116 K167 Y247P113-S116 VanDerWaalsContact O-CB 3.27Å; P113-S116 WeakPolarHBondContact O-CB 3.38Å; P113-S116 PolarHBondContact O-N 3.44Å; P113-S116 VanDerWaalsContact O-N 3.12Å; P113-S116 PolarHBondContact O-OG 2.68Å; P113-K167 HydrophobicContact CG-CG 4.46Å; P113-Y247 CarbonylContact C-O 3.56Å; P113-Y247 HydrophobicContact CB-CD2 4.46Å; P113-Y247 HydrophobicContact CB-CE1 4.38Å; P113-Y247 HydrophobicContact CB-CE2 3.76Å
114H78.4Confident83.6Confident48 Ų4837.1 Ų37.122%0.22221%0.213CC..THydrogen-bonded Turntrans-50.6145.8177.565.9-100000112.3S116 K167 N196 E224 Y247H114-S116 PolarHBondContact O-N 3.08Å; H114-K167 PolarHBondContact CD2-NZ 3.35Å; H114-K167 PolarHBondContact NE2-NZ 3.24Å; H114-K167 WeakPolarHBondContact O-CD 3.41Å; H114-K167 WeakPolarHBondContact O-CE 3.41Å; H114-K167 PolarHBondContact O-NZ 3.13Å; H114-N196 HydrophobicContact CB-CB 3.92Å; H114-N196 WeakPolarHBondContact CB-ND2 3.3Å; H114-E224 IonicContact CE1-OE1 3.91Å; H114-E224 PolarHBondContact CE1-OE1 2.83Å; H114-E224 IonicContact CE1-OE2 3.27Å; H114-E224 PolarHBondContact CE1-OE2 3.31Å; H114-E224 IonicContact ND1-OE1 2.68Å; H114-E224 PolarHBondContact ND1-OE1 2.64Å; H114-E224 IonicContact ND1-OE2 3.39Å; H114-E224 PolarHBondContact ND1-OE2 2.87Å; H114-E224 VanDerWaalsContact ND1-OE2 3.09Å; H114-Y247 VanDerWaalsContact CB-O 3.32Å; H114-Y247 WeakPolarHBondContact CB-O 3.41Å; H114-Y247 PolarHBondContact N-O 3.09Å; H114-Y247 PolarHBondContact ND1-O 3.2Å
115G78.4Confident83.5Confident16 Ų1641.8 Ų41.817%0.16523%0.229CC..THydrogen-bonded Turntrans80.4-4.8-172.600000114.5E117 A170 L192G115-E117 VanDerWaalsContact C-N 3.34Å; G115-A170 WeakPolarHBondContact O-CB 3.48Å; G115-L192 WeakPolarHBondContact O-CD2 3.42Å
116S84.5Confident83.4Confident1 Ų145.5 Ų45.51%0.00725%0.25CS..SBendtrans-83.7-9.1164.4-38.90000112.8P113 H114 F164 K167 A170P113-S116 VanDerWaalsContact O-CB 3.27Å; P113-S116 WeakPolarHBondContact O-CB 3.38Å; P113-S116 PolarHBondContact O-N 3.44Å; P113-S116 VanDerWaalsContact O-N 3.12Å; P113-S116 PolarHBondContact O-OG 2.68Å; H114-S116 PolarHBondContact O-N 3.08Å; S116-F164 VanDerWaalsContact CB-O 3.3Å; S116-F164 WeakPolarHBondContact CB-O 3.24Å; S116-F164 PolarHBondContact O-N 2.74Å; S116-K167 WeakPolarHBondContact OG-CG 3.47Å; S116-A170 WeakPolarHBondContact O-CB 3.18Å
117E86.2Confident83.3Confident23 Ų2342 Ų4211%0.10723%0.225CC..EExtended strand (participates in β ladder)trans-101.3122.7178.8177.7-170.9-163.600110.9G115 R146 F161 V162 A163 S193 S195 N249G115-E117 VanDerWaalsContact C-N 3.34Å; E117-R146 IonicContact OE1-CZ 3.12Å; E117-R146 IonicContact OE1-NE 2.8Å; E117-R146 IonicContact OE1-NH2 2.67Å; E117-R146 PolarHBondContact OE1-NH2 2.99Å; E117-R146 IonicContact OE2-NH2 3.94Å; E117-F161 HydrophobicContact CG-CB 3.97Å; E117-F161 HydrophobicContact CG-CD1 4.21Å; E117-F161 WeakPolarHBondContact OE1-CB 3.41Å; E117-F161 WeakPolarHBondContact OE1-CD1 3.39Å; E117-F161 VanDerWaalsContact OE1-CG 3.24Å; E117-F161 WeakPolarHBondContact OE1-CG 3.31Å; E117-V162 CarbonylContact C-O 3.53Å; E117-V162 WeakPolarHBondContact CA-O 3.5Å; E117-A163 HydrophobicContact CB-CB 4.35Å; E117-S193 WeakPolarHBondContact CB-OG 3.49Å; E117-S193 VanDerWaalsContact CG-OG 3.27Å; E117-S193 WeakPolarHBondContact CG-OG 3.46Å; E117-S193 VanDerWaalsContact O-CB 3.23Å; E117-S193 WeakPolarHBondContact O-CB 3.42Å; E117-S193 PolarHBondContact O-N 2.76Å; E117-S193 PolarHBondContact O-OG 3.32Å; E117-S193 PolarHBondContact OE2-OG 2.87Å; E117-S195 PolarHBondContact OE2-OG 3.31Å; E117-N249 WeakPolarHBondContact OE2-CB 3.19Å
118V87.1Confident83.3Confident1 Ų137.5 Ų37.51%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-99.2128.7177.8179.60000109.7I120 F161 V162 F164 A170 A173 I174 C190V118-I120 HydrophobicContact CG1-CG1 4.05Å; V118-F161 CarbonylContact O-C 3.59Å; V118-F161 VanDerWaalsContact O-CA 3.25Å; V118-F161 WeakPolarHBondContact O-CA 3.4Å; V118-V162 PolarHBondContact N-O 3.11Å; V118-V162 PolarHBondContact O-N 3.38Å; V118-F164 HydrophobicContact CB-CE2 4.25Å; V118-F164 HydrophobicContact CG2-CD2 3.93Å; V118-F164 HydrophobicContact CG2-CE2 3.69Å; V118-A170 HydrophobicContact CG2-CB 3.75Å; V118-A170 VanDerWaalsContact CG2-O 3.25Å; V118-A170 WeakPolarHBondContact CG2-O 3.46Å; V118-A173 HydrophobicContact CG2-CB 4.46Å; V118-I174 HydrophobicContact CB-CG1 4.39Å; V118-I174 HydrophobicContact CG1-CD1 4.27Å; V118-I174 HydrophobicContact CG1-CG1 3.62Å; V118-I174 HydrophobicContact CG2-CD1 4.04Å; V118-I174 HydrophobicContact CG2-CG1 3.92Å; V118-C190 HydrophobicContact CG1-CB 4.24Å
119F87.1Confident83.5Confident60 Ų6040.4 Ų40.426%0.26322%0.224SC..EExtended strand (participates in β ladder)trans-82.2127.1164.9169.8-89.4000109.3Y159 F161 C190 S191F119-Y159 HydrophobicContact CD2-CD2 4.08Å; F119-Y159 AromaticContact CE2-CD2 3.44Å; F119-Y159 HydrophobicContact CE2-CD2 3.44Å; F119-Y159 VanDerWaalsContact CE2-CD2 3.44Å; F119-Y159 HydrophobicContact CE2-CE2 4.23Å; F119-Y159 AromaticContact CE2-CG 3.69Å; F119-Y159 HydrophobicContact CE2-CG 3.69Å; F119-Y159 HydrophobicContact CZ-CD2 4.35Å; F119-Y159 HydrophobicContact CZ-CG 4.16Å; F119-F161 HydrophobicContact CB-CD1 4.04Å; F119-F161 HydrophobicContact CB-CE1 3.97Å; F119-F161 HydrophobicContact CD2-CD1 4.23Å; F119-F161 AromaticContact CD2-CE1 3.66Å; F119-F161 HydrophobicContact CD2-CE1 3.66Å; F119-F161 AromaticContact CD2-CZ 3.86Å; F119-F161 HydrophobicContact CD2-CZ 3.86Å; F119-F161 HydrophobicContact CG-CE1 4.31Å; F119-C190 CarbonylContact O-C 3.51Å; F119-C190 VanDerWaalsContact O-CA 3.3Å; F119-C190 WeakPolarHBondContact O-CA 3.33Å; F119-S191 WeakPolarHBondContact CD1-OG 3.24Å; F119-S191 PolarHBondContact N-O 2.79Å; F119-S191 PolarHBondContact O-N 3.44Å
120I87Confident83.7Confident0 Ų044.1 Ų44.10%024%0.239CC..EExtended strand (participates in β ladder)trans-114.9103.5174.5-53.2-178.2000107.7V118 L123 L132 Y159 A160 V162 A188V118-I120 HydrophobicContact CG1-CG1 4.05Å; I120-L123 HydrophobicContact CG2-CD1 4.26Å; I120-L123 HydrophobicContact CG2-CD2 3.74Å; I120-L123 HydrophobicContact CG2-CG 4.1Å; I120-L132 HydrophobicContact CD1-CD2 4.5Å; I120-Y159 CarbonylContact O-C 3.55Å; I120-Y159 WeakPolarHBondContact O-CA 3.44Å; I120-Y159 WeakPolarHBondContact O-CB 3.47Å; I120-A160 PolarHBondContact N-O 3.32Å; I120-A160 PolarHBondContact O-N 3.15Å; I120-V162 HydrophobicContact CD1-CB 4.47Å; I120-V162 HydrophobicContact CD1-CG2 3.64Å; I120-V162 HydrophobicContact CG1-CG2 4.42Å; I120-A188 HydrophobicContact CG2-CB 4.27Å
121G85.4Confident83.9Confident4 Ų442.6 Ų42.64%0.04123%0.225CC..EExtended strand (participates in β ladder)trans-98.9169.8176.700000113.2L123 N189G121-L123 VanDerWaalsContact C-N 3.32Å; G121-N189 PolarHBondContact N-O 3.45Å; G121-N189 PolarHBondContact O-N 3.06Å
122G81.5Confident84.1Confident36 Ų3641.8 Ų41.837%0.37122%0.221SC..SBendtrans77.417.4178.600000113.8G158 S186G122-G158 PolarHBondContact N-O 2.68Å; G122-S186 WeakPolarHBondContact O-CB 3.47Å; G122-S186 PolarHBondContact O-OG 2.93Å
123L84.7Confident84.5Confident9 Ų944.7 Ų44.75%0.04723%0.229CC..  trans-73.3136.5179.1-61.5176.9000111I120 G121 V127 L132 L147 G158 A160 F182I120-L123 HydrophobicContact CG2-CD1 4.26Å; I120-L123 HydrophobicContact CG2-CD2 3.74Å; I120-L123 HydrophobicContact CG2-CG 4.1Å; G121-L123 VanDerWaalsContact C-N 3.32Å; L123-V127 HydrophobicContact CD1-CG1 4.35Å; L123-V127 HydrophobicContact CD2-CG1 4.47Å; L123-L132 HydrophobicContact CD1-CD1 3.81Å; L123-L132 HydrophobicContact CD1-CD2 3.76Å; L123-L132 HydrophobicContact CD1-CG 4.36Å; L123-L132 HydrophobicContact CD2-CD2 3.79Å; L123-L132 HydrophobicContact CG-CD2 4.44Å; L123-L147 HydrophobicContact CD1-CD1 4.45Å; L123-G158 PolarHBondContact N-O 3.37Å; L123-G158 WeakPolarHBondContact O-CA 3.48Å; L123-A160 HydrophobicContact CD1-CB 3.72Å; L123-F182 HydrophobicContact CD2-CD1 3.79Å; L123-F182 HydrophobicContact CD2-CE1 4.02Å
124P80.7Confident84.9Confident29 Ų2948.2 Ų48.219%0.18825%0.246CC..  trans-73.2161.8171.933.1-35.1000110.7D126 V127 K183P124-D126 VanDerWaalsContact C-N 3.26Å; P124-D126 VanDerWaalsContact CB-OD1 3.22Å; P124-D126 WeakPolarHBondContact CB-OD1 3.3Å; P124-D126 WeakPolarHBondContact CG-OD1 3.12Å; P124-D126 PolarHBondContact O-N 2.81Å; P124-V127 HydrophobicContact CG-CG2 3.77Å; P124-V127 PolarHBondContact O-N 3.32Å; P124-K183 HydrophobicContact CG-CB 4.47Å
125R81.8Confident85.2Confident180 Ų18047.1 Ų47.168%0.67924%0.242SC*.THydrogen-bonded Turntrans-71.9-18.2-168-65.1-170.4-172.4-169.64.2114.7V127 D155R125-V127 VanDerWaalsContact C-N 3.35Å; R125-D155 WeakPolarHBondContact CD-OD2 3.42Å; R125-D155 IonicContact CZ-OD2 3.23Å; R125-D155 IonicContact NE-OD2 3.2Å; R125-D155 IonicContact NH1-OD2 3.03Å; R125-D155 PolarHBondContact NH1-OD2 3.33Å
126D82.6Confident85.6Confident105 Ų10546.4 Ų46.456%0.56123%0.234SC*.THydrogen-bonded Turntrans-81.6-11.6179.162.9-51.1000113.4P124 G128P124-D126 VanDerWaalsContact C-N 3.26Å; P124-D126 VanDerWaalsContact CB-OD1 3.22Å; P124-D126 WeakPolarHBondContact CB-OD1 3.3Å; P124-D126 WeakPolarHBondContact CG-OD1 3.12Å; P124-D126 PolarHBondContact O-N 2.81Å; D126-G128 PolarHBondContact O-N 3.16Å
127V83.8Confident85.8Confident3 Ų352.2 Ų52.22%0.01826%0.261CS..  trans-71125.7178.2162.60000111.4L123 P124 R125 D131 L132 L147 F182 K183L123-V127 HydrophobicContact CD1-CG1 4.35Å; L123-V127 HydrophobicContact CD2-CG1 4.47Å; P124-V127 HydrophobicContact CG-CG2 3.77Å; P124-V127 PolarHBondContact O-N 3.32Å; R125-V127 VanDerWaalsContact C-N 3.35Å; V127-D131 WeakPolarHBondContact CA-OD2 3.38Å; V127-D131 HydrophobicContact CG1-CB 4.34Å; V127-L132 HydrophobicContact CG1-CD1 4.13Å; V127-L132 HydrophobicContact CG1-CD2 3.96Å; V127-L132 HydrophobicContact CG1-CG 3.77Å; V127-L147 VanDerWaalsContact O-CD2 3.3Å; V127-L147 WeakPolarHBondContact O-CD2 3.38Å; V127-F182 HydrophobicContact CB-CE1 4.27Å; V127-F182 HydrophobicContact CG1-CE1 3.83Å; V127-F182 HydrophobicContact CG2-CD1 3.95Å; V127-F182 HydrophobicContact CG2-CE1 3.39Å; V127-F182 HydrophobicContact CG2-CZ 4.28Å; V127-K183 HydrophobicContact CG2-CD 3.98Å
128G85.2Confident85.8Confident23 Ų2357.7 Ų57.724%0.23729%0.287CS..  trans-88.1177.3172.700000113.2D126 E130 D131D126-G128 PolarHBondContact O-N 3.16Å; G128-E130 VanDerWaalsContact C-N 3.32Å; G128-D131 PolarHBondContact N-OD2 3.43Å
129E89Confident85.7Confident81 Ų8158.3 Ų58.338%0.37929%0.29SS..Hα-helixtrans-68.5-36.4169.2-165.8-165.3126.900110.9L132 R133 V145E129-L132 PolarHBondContact O-N 2.92Å; E129-R133 WeakPolarHBondContact O-CB 3.03Å; E129-R133 PolarHBondContact O-N 2.9Å; E129-R133 IonicContact OE1-CZ 2.69Å; E129-R133 IonicContact OE1-NH2 3.82Å; E129-R133 PolarHBondContact OE1-NH2 2.86Å; E129-V145 HydrophobicContact CG-CB 3.53Å; E129-V145 HydrophobicContact CG-CG1 3.43Å; E129-V145 VanDerWaalsContact CG-CG1 3.43Å
130E88.7Confident85.7Confident156 Ų15656.4 Ų56.473%0.72929%0.287SS*.Hα-helixtrans-59.8-49.8178.6-64.7167.3-175.400111.4G128 L132 R133 D134G128-E130 VanDerWaalsContact C-N 3.32Å; E130-L132 PolarHBondContact O-N 2.85Å; E130-L132 VanDerWaalsContact O-N 3.14Å; E130-R133 WeakPolarHBondContact O-CB 3.05Å; E130-R133 PolarHBondContact O-N 3.39Å; E130-D134 PolarHBondContact O-N 2.85Å
131D86.9Confident85.8Confident47 Ų4762.2 Ų62.225%0.25131%0.314SS..Hα-helixtrans-57.1-33.6177.7-60-64.7000113.2V127 G128 L135 F182 K183V127-D131 WeakPolarHBondContact CA-OD2 3.38Å; V127-D131 HydrophobicContact CG1-CB 4.34Å; G128-D131 PolarHBondContact N-OD2 3.43Å; D131-L135 WeakPolarHBondContact O-CB 3.49Å; D131-L135 PolarHBondContact O-N 3.07Å; D131-F182 HydrophobicContact CB-CZ 3.97Å; D131-K183 WeakPolarHBondContact OD1-CE 3.14Å; D131-K183 IonicContact OD1-NZ 2.78Å; D131-K183 PolarHBondContact OD1-NZ 2.79Å; D131-K183 IonicContact OD2-NZ 3.14Å; D131-K183 PolarHBondContact OD2-NZ 2.93Å
132L86.7Confident86Confident0 Ų063.4 Ų63.40%032%0.319CS..Hα-helixtrans-79.8-34.5178.8-64.9170.7000111.7I120 L123 V127 E129 E130 C136 V145 L147 A160 F182I120-L132 HydrophobicContact CD1-CD2 4.5Å; L123-L132 HydrophobicContact CD1-CD1 3.81Å; L123-L132 HydrophobicContact CD1-CD2 3.76Å; L123-L132 HydrophobicContact CD1-CG 4.36Å; L123-L132 HydrophobicContact CD2-CD2 3.79Å; L123-L132 HydrophobicContact CG-CD2 4.44Å; V127-L132 HydrophobicContact CG1-CD1 4.13Å; V127-L132 HydrophobicContact CG1-CD2 3.96Å; V127-L132 HydrophobicContact CG1-CG 3.77Å; E129-L132 PolarHBondContact O-N 2.92Å; E130-L132 PolarHBondContact O-N 2.85Å; E130-L132 VanDerWaalsContact O-N 3.14Å; L132-C136 VanDerWaalsContact O-CB 3.3Å; L132-C136 WeakPolarHBondContact O-CB 3.42Å; L132-C136 PolarHBondContact O-N 2.72Å; L132-C136 PolarHBondContact O-SG 3.36Å; L132-V145 HydrophobicContact CB-CG1 4.14Å; L132-V145 HydrophobicContact CD1-CG1 4.3Å; L132-L147 HydrophobicContact CD1-CD1 4.33Å; L132-A160 HydrophobicContact CD1-CB 3.37Å; L132-F182 HydrophobicContact CD2-CE1 4.08Å; L132-F182 HydrophobicContact CD2-CZ 4.39Å
133R89.9Confident86.3Confident82 Ų8266.3 Ų66.331%0.30932%0.322SS..Hα-helixtrans-62.6-53174.1-174.2178.2-65.6-88.1-1.9109.6E129 E130 L135 C136 E137 I142 V145E129-R133 WeakPolarHBondContact O-CB 3.03Å; E129-R133 PolarHBondContact O-N 2.9Å; E129-R133 IonicContact OE1-CZ 2.69Å; E129-R133 IonicContact OE1-NH2 3.82Å; E129-R133 PolarHBondContact OE1-NH2 2.86Å; E130-R133 WeakPolarHBondContact O-CB 3.05Å; E130-R133 PolarHBondContact O-N 3.39Å; R133-L135 VanDerWaalsContact C-N 3.31Å; R133-L135 PolarHBondContact O-N 3.06Å; R133-C136 PolarHBondContact O-N 2.87Å; R133-C136 VanDerWaalsContact O-N 3.16Å; R133-E137 WeakPolarHBondContact O-CB 3.33Å; R133-E137 PolarHBondContact O-N 2.84Å; R133-I142 HydrophobicContact CB-CD1 4.38Å; R133-I142 HydrophobicContact CG-CD1 4Å; R133-I142 VanDerWaalsContact O-CD1 3.25Å; R133-I142 WeakPolarHBondContact O-CD1 3.25Å; R133-V145 HydrophobicContact CB-CG2 4.31Å
134D87.7Confident86.4Confident109 Ų10970.3 Ų70.358%0.58334%0.34SS*.Hα-helixtrans-56.7-44.1179-63.3-12000111.8E130E130-D134 PolarHBondContact O-N 2.85Å
135L84.8Confident86.8Confident25 Ų2569.3 Ų69.313%0.13133%0.333CS..Hα-helixtrans-65.9-39.1178.4179.867.7000113.4D131 R133 L177 F182D131-L135 WeakPolarHBondContact O-CB 3.49Å; D131-L135 PolarHBondContact O-N 3.07Å; R133-L135 VanDerWaalsContact C-N 3.31Å; R133-L135 PolarHBondContact O-N 3.06Å; L135-L177 HydrophobicContact CD1-CD2 3.75Å; L135-L177 HydrophobicContact CD2-CD1 4.16Å; L135-L177 HydrophobicContact CD2-CD2 3.98Å; L135-L177 HydrophobicContact CG-CD1 4.17Å; L135-L177 HydrophobicContact CG-CD2 3.76Å; L135-F182 HydrophobicContact CB-CE2 4.38Å; L135-F182 HydrophobicContact CD2-CD2 3.86Å; L135-F182 HydrophobicContact CD2-CE2 3.7Å; L135-F182 HydrophobicContact CD2-CZ 4.19Å; L135-F182 HydrophobicContact CG-CE2 4.43Å
136C85.5Confident87.1Confident1 Ų163.7 Ų63.71%0.00731%0.312CS..Hα-helixtrans-85.8-24.2-177.3-74.10000112.7L132 R133 E138 I139 G140 I142 V162 F164 L177L132-C136 VanDerWaalsContact O-CB 3.3Å; L132-C136 WeakPolarHBondContact O-CB 3.42Å; L132-C136 PolarHBondContact O-N 2.72Å; L132-C136 PolarHBondContact O-SG 3.36Å; R133-C136 PolarHBondContact O-N 2.87Å; R133-C136 VanDerWaalsContact O-N 3.16Å; C136-E138 VanDerWaalsContact C-N 3.3Å; C136-E138 PolarHBondContact O-N 2.8Å; C136-I139 WeakPolarHBondContact O-CB 2.96Å; C136-I139 PolarHBondContact O-N 3.25Å; C136-G140 PolarHBondContact O-N 3.3Å; C136-I142 HydrophobicContact CB-CD1 3.47Å; C136-I142 VanDerWaalsContact CB-CD1 3.47Å; C136-I142 HydrophobicContact CB-CG1 3.97Å; C136-V162 HydrophobicContact CB-CG1 4.02Å; C136-F164 HydrophobicContact CB-CE1 3.96Å; C136-F164 HydrophobicContact CB-CZ 3.67Å; C136-L177 VanDerWaalsContact SG-CD1 3.59Å
137E88.8Confident87.4Confident122 Ų12259.7 Ų59.757%0.5729%0.291SS*.Hα-helixtrans-71.7-26.1179.2-171164.2174.500111.8R133 I139 I142R133-E137 WeakPolarHBondContact O-CB 3.33Å; R133-E137 PolarHBondContact O-N 2.84Å; E137-I139 PolarHBondContact O-N 2.74Å; E137-I142 HydrophobicContact CB-CD1 4.14Å
138E86.2Confident87.6Confident138 Ų13862.1 Ų62.165%0.64530%0.302SS*.THydrogen-bonded Turntrans-57.5-28166.5-173.8173.2-142.100112.4C136 K180C136-E138 VanDerWaalsContact C-N 3.3Å; C136-E138 PolarHBondContact O-N 2.8Å; E138-K180 IonicContact OE2-NZ 3.66Å
139I85.8Confident87.7Confident15 Ų1566.5 Ų66.58%0.07732%0.315CS..THydrogen-bonded Turntrans-95.9-34.8-175.3-50.2-175.3000111.8C136 E137 K172 A173 E176 L177C136-I139 WeakPolarHBondContact O-CB 2.96Å; C136-I139 PolarHBondContact O-N 3.25Å; E137-I139 PolarHBondContact O-N 2.74Å; I139-K172 HydrophobicContact CG2-CB 4.29Å; I139-K172 HydrophobicContact CG2-CD 4.09Å; I139-K172 HydrophobicContact CG2-CG 3.88Å; I139-A173 HydrophobicContact CD1-CB 4.07Å; I139-A173 HydrophobicContact CG2-CB 4.04Å; I139-E176 HydrophobicContact CD1-CB 4.16Å; I139-E176 HydrophobicContact CD1-CG 4.22Å; I139-L177 HydrophobicContact CD1-CD1 3.69Å; I139-L177 HydrophobicContact CD1-CD2 3.72Å; I139-L177 HydrophobicContact CD1-CG 3.44Å; I139-L177 VanDerWaalsContact CD1-CG 3.44Å
140G87Confident87.5Confident19 Ų1965.9 Ų65.920%0.19631%0.314CS..SBendtrans165.8-177.8170.900000114.7C136 I142C136-G140 PolarHBondContact O-N 3.3Å; G140-I142 PolarHBondContact O-N 3.34Å; G140-I142 VanDerWaalsContact O-N 3.13Å
141E88.9Confident87.1Confident123 Ų12368.5 Ų68.558%0.57532%0.318SS*.  trans-61.1113.3-172.8-68.2-175.9-144.100113.5K165E141-K165 HydrophobicContact CB-CB 4.3Å; E141-K165 HydrophobicContact CB-CD 4.21Å; E141-K165 PolarHBondContact O-N 3.42Å; E141-K165 VanDerWaalsContact O-N 3.08Å; E141-K165 IonicContact OE1-NZ 2.61Å; E141-K165 PolarHBondContact OE1-NZ 2.99Å; E141-K165 WeakPolarHBondContact OE2-CD 3.17Å; E141-K165 WeakPolarHBondContact OE2-CE 3.41Å; E141-K165 IonicContact OE2-NZ 2.82Å; E141-K165 PolarHBondContact OE2-NZ 3.44Å
142I89.8Confident86.8Confident29 Ų2972.1 Ų72.115%0.14934%0.337CS..EExtended strand (participates in β ladder)trans-82.5132.7173.6-55.8169.6000110.1R133 C136 E137 G140 V145 V162 F164R133-I142 HydrophobicContact CB-CD1 4.38Å; R133-I142 HydrophobicContact CG-CD1 4Å; R133-I142 VanDerWaalsContact O-CD1 3.25Å; R133-I142 WeakPolarHBondContact O-CD1 3.25Å; C136-I142 HydrophobicContact CB-CD1 3.47Å; C136-I142 VanDerWaalsContact CB-CD1 3.47Å; C136-I142 HydrophobicContact CB-CG1 3.97Å; E137-I142 HydrophobicContact CB-CD1 4.14Å; G140-I142 PolarHBondContact O-N 3.34Å; G140-I142 VanDerWaalsContact O-N 3.13Å; I142-V145 HydrophobicContact CD1-CG2 4.41Å; I142-V145 HydrophobicContact CG2-CG2 3.69Å; I142-V162 HydrophobicContact CD1-CG1 4.38Å; I142-V162 HydrophobicContact CG1-CG1 4.16Å; I142-V162 HydrophobicContact CG2-CG1 3.87Å; I142-F164 HydrophobicContact CG1-CD1 4.2Å; I142-F164 HydrophobicContact CG1-CE1 3.92Å
143F87.2Confident86.5Confident97 Ų9775.7 Ų75.743%0.42536%0.362SS..EExtended strand (participates in β ladder)trans-87.5-50.1171.2-169.2-79.7000112L111 P112 A163L111-F143 HydrophobicContact CD2-CD1 4.31Å; L111-F143 HydrophobicContact CD2-CE1 3.27Å; L111-F143 HydrophobicContact CD2-CZ 3.57Å; P112-F143 HydrophobicContact CG-CB 3.95Å; P112-F143 HydrophobicContact CG-CD1 4.27Å; P112-F143 HydrophobicContact CG-CD2 3.73Å; P112-F143 HydrophobicContact CG-CE2 4.36Å; P112-F143 HydrophobicContact CG-CG 3.69Å; F143-A163 WeakPolarHBondContact CA-O 3.42Å; F143-A163 HydrophobicContact CB-CB 4.4Å; F143-A163 WeakPolarHBondContact CB-O 3.33Å; F143-A163 PolarHBondContact N-O 3.4Å
144E88Confident86Confident93 Ų9374 Ų7444%0.43537%0.369SS..EExtended strand (participates in β ladder)trans-148145.1-178.3-175.4-177.8166.200110.9V162 A163E144-V162 CarbonylContact O-C 3.59Å; E144-A163 HydrophobicContact CB-CB 4.18Å; E144-A163 PolarHBondContact N-O 3.42Å; E144-A163 VanDerWaalsContact N-O 3.15Å; E144-A163 PolarHBondContact O-N 2.89Å
145V89.1Confident85.7Confident7 Ų771.3 Ų71.34%0.04236%0.355CS..EExtended strand (participates in β ladder)trans-120.4130168.3-174.60000108.7E129 L132 R133 I142 V162E129-V145 HydrophobicContact CG-CB 3.53Å; E129-V145 HydrophobicContact CG-CG1 3.43Å; E129-V145 VanDerWaalsContact CG-CG1 3.43Å; L132-V145 HydrophobicContact CB-CG1 4.14Å; L132-V145 HydrophobicContact CD1-CG1 4.3Å; R133-V145 HydrophobicContact CB-CG2 4.31Å; I142-V145 HydrophobicContact CD1-CG2 4.41Å; I142-V145 HydrophobicContact CG2-CG2 3.69Å; V145-V162 HydrophobicContact CG1-CG2 4.19Å; V145-V162 HydrophobicContact CG2-CG1 4.42Å; V145-V162 HydrophobicContact CG2-CG2 4.44Å
146R87.8Confident85.6Confident62 Ų6270.6 Ų70.623%0.23435%0.352CS..EExtended strand (participates in β ladder)trans-127.689.6-177-177.6173.763179.1-5110.5E117 M148 A160 F161 N249E117-R146 IonicContact OE1-CZ 3.12Å; E117-R146 IonicContact OE1-NE 2.8Å; E117-R146 IonicContact OE1-NH2 2.67Å; E117-R146 PolarHBondContact OE1-NH2 2.99Å; E117-R146 IonicContact OE2-NH2 3.94Å; R146-M148 HydrophobicContact CG-CE 4.33Å; R146-M148 PolarHBondContact O-N 2.82Å; R146-A160 WeakPolarHBondContact O-CA 3.27Å; R146-F161 HydrophobicContact CB-CB 4.42Å; R146-F161 PolarHBondContact N-O 3.41Å; R146-F161 PolarHBondContact O-N 2.8Å; R146-N249 VanDerWaalsContact CZ-OD1 3.27Å; R146-N249 PolarHBondContact NH1-OD1 3.02Å; R146-N249 PolarHBondContact NH2-OD1 3.23Å
147L89Confident85.5Confident22 Ų2275.5 Ų75.512%0.11537%0.374CS..EExtended strand (participates in β ladder)trans-76115.7174.3177.559.8000110.7L123 V127 L132 K149 A160L123-L147 HydrophobicContact CD1-CD1 4.45Å; V127-L147 VanDerWaalsContact O-CD2 3.3Å; V127-L147 WeakPolarHBondContact O-CD2 3.38Å; L132-L147 HydrophobicContact CD1-CD1 4.33Å; L147-K149 HydrophobicContact CG-CG 4.42Å; L147-K149 PolarHBondContact O-N 3.18Å; L147-A160 HydrophobicContact CB-CB 4.45Å; L147-A160 HydrophobicContact CD1-CB 4Å
148M87.1Confident85.3Confident53 Ų5370.5 Ų70.526%0.26135%0.354SS..EExtended strand (participates in β ladder)trans-81.8112-176.2-74.7-73.2-165.800111R146 K157 Y159 F161R146-M148 HydrophobicContact CG-CE 4.33Å; R146-M148 PolarHBondContact O-N 2.82Å; M148-K157 HydrophobicContact CB-CD 4.42Å; M148-K157 VanDerWaalsContact O-CB 3.3Å; M148-K157 WeakPolarHBondContact O-CB 3.32Å; M148-K157 WeakPolarHBondContact O-CG 3.15Å; M148-K157 PolarHBondContact O-N 2.83Å; M148-Y159 HydrophobicContact CB-CD2 3.95Å; M148-Y159 HydrophobicContact CB-CE1 4.31Å; M148-Y159 HydrophobicContact CB-CE2 3.55Å; M148-Y159 HydrophobicContact CG-CD2 4.04Å; M148-Y159 HydrophobicContact CG-CE2 3.48Å; M148-Y159 VanDerWaalsContact CG-CE2 3.48Å; M148-Y159 PolarHBondContact N-O 2.87Å; M148-Y159 VanDerWaalsContact N-O 3.16Å; M148-F161 HydrophobicContact CE-CD2 4.09Å; M148-F161 HydrophobicContact CE-CE2 3.76Å; M148-F161 HydrophobicContact CG-CD2 4.15Å; M148-F161 HydrophobicContact CG-CE2 4Å
149K88Confident85.4Confident115 Ų11567.1 Ų67.150%0.534%0.336SS..EExtended strand (participates in β ladder)trans-103.2150.8178.3-65.8175.7-178.8177.90111.4L147 D155 K157L147-K149 HydrophobicContact CG-CG 4.42Å; L147-K149 PolarHBondContact O-N 3.18Å; K149-D155 CarbonylContact C-O 3.52Å; K149-D155 WeakPolarHBondContact CA-O 3.23Å; K149-K157 VanDerWaalsContact O-CE 3.24Å; K149-K157 WeakPolarHBondContact O-CE 3.31Å
150D84.3Confident85.5Confident68 Ų6866.4 Ų66.436%0.36433%0.332SS..  trans-75.3133.2173.5-167.219.7000110.1D152 G154 D155 K157D150-D152 PolarHBondContact O-N 2.67Å; D150-G154 VanDerWaalsContact O-CA 3.31Å; D150-G154 WeakPolarHBondContact O-CA 3.41Å; D150-G154 PolarHBondContact O-N 3.43Å; D150-D155 PolarHBondContact N-O 3.24Å; D150-K157 HydrophobicContact CB-CG 4.17Å
151R80.8Confident85.6Confident212 Ų21266.6 Ų66.680%0.833%0.328SS*.THydrogen-bonded Turntrans-67.4-32.4-173.1-173.7-167.363.4-158.1-10.3111.3
152D80.8Confident85.6Confident123 Ų12360.7 Ų60.766%0.65830%0.3SS*.THydrogen-bonded Turntrans-92.4-26.1-169.3-56.8-16.6000112D150D150-D152 PolarHBondContact O-N 2.67Å
153S81.2Confident85.6Confident75 Ų7560 Ų6052%0.52430%0.299SS..THydrogen-bonded Turntrans-104.5-28.3176.5-158.30000114.3D155S153-D155 WeakPolarHBondContact CB-OD1 3.3Å; S153-D155 PolarHBondContact O-N 3.44Å; S153-D155 PolarHBondContact OG-OD1 3.35Å
154G79.1Confident85.7Confident45 Ų4555.4 Ų55.446%0.46428%0.279SS..  trans80.5-17.2-168.400000114.3D150D150-G154 VanDerWaalsContact O-CA 3.31Å; D150-G154 WeakPolarHBondContact O-CA 3.41Å; D150-G154 PolarHBondContact O-N 3.43Å
155D80.3Confident85.7Confident53 Ų5356.5 Ų56.528%0.28328%0.282SS..  trans-54.4143.1173.2-67.143.3000112.6R125 K149 D150 S153 K157R125-D155 WeakPolarHBondContact CD-OD2 3.42Å; R125-D155 IonicContact CZ-OD2 3.23Å; R125-D155 IonicContact NE-OD2 3.2Å; R125-D155 IonicContact NH1-OD2 3.03Å; R125-D155 PolarHBondContact NH1-OD2 3.33Å; K149-D155 CarbonylContact C-O 3.52Å; K149-D155 WeakPolarHBondContact CA-O 3.23Å; D150-D155 PolarHBondContact N-O 3.24Å; S153-D155 WeakPolarHBondContact CB-OD1 3.3Å; S153-D155 PolarHBondContact O-N 3.44Å; S153-D155 PolarHBondContact OG-OD1 3.35Å; D155-K157 PolarHBondContact O-N 2.81Å
156S83.2Confident85.5Confident10 Ų1058.9 Ų58.97%0.0730%0.297CS..EExtended strand (participates in β ladder)trans-59.9131.8167-57.90000110.8G158S156-G158 PolarHBondContact O-N 3.46Å
157K84.3Confident85.5Confident105 Ų10559.6 Ų59.646%0.45730%0.302SS..EExtended strand (participates in β ladder)trans-70.84.1176.6-65.6-177.7177.3168.80113.7M148 K149 D150 D155 Y159M148-K157 HydrophobicContact CB-CD 4.42Å; M148-K157 VanDerWaalsContact O-CB 3.3Å; M148-K157 WeakPolarHBondContact O-CB 3.32Å; M148-K157 WeakPolarHBondContact O-CG 3.15Å; M148-K157 PolarHBondContact O-N 2.83Å; K149-K157 VanDerWaalsContact O-CE 3.24Å; K149-K157 WeakPolarHBondContact O-CE 3.31Å; D150-K157 HydrophobicContact CB-CG 4.17Å; D155-K157 PolarHBondContact O-N 2.81Å; K157-Y159 HydrophobicContact CB-CD1 3.77Å; K157-Y159 HydrophobicContact CB-CE1 3.48Å; K157-Y159 VanDerWaalsContact CB-CE1 3.48Å; K157-Y159 HydrophobicContact CD-CE1 3.91Å; K157-Y159 HydrophobicContact CG-CE1 4.35Å
158G83.6Confident85.4Confident16 Ų1664.5 Ų64.517%0.16533%0.328CS..EExtended strand (participates in β ladder)trans76.820.2-176.600000114.8G122 L123 S156G122-G158 PolarHBondContact N-O 2.68Å; L123-G158 PolarHBondContact N-O 3.37Å; L123-G158 WeakPolarHBondContact O-CA 3.48Å; S156-G158 PolarHBondContact O-N 3.46Å
159Y88.1Confident85.4Confident67 Ų6763.6 Ų63.626%0.26333%0.326SS..EExtended strand (participates in β ladder)trans-150.1155.9170.968.4-85.5000112.5F119 I120 M148 K157 F161F119-Y159 HydrophobicContact CD2-CD2 4.08Å; F119-Y159 AromaticContact CE2-CD2 3.44Å; F119-Y159 HydrophobicContact CE2-CD2 3.44Å; F119-Y159 VanDerWaalsContact CE2-CD2 3.44Å; F119-Y159 HydrophobicContact CE2-CE2 4.23Å; F119-Y159 AromaticContact CE2-CG 3.69Å; F119-Y159 HydrophobicContact CE2-CG 3.69Å; F119-Y159 HydrophobicContact CZ-CD2 4.35Å; F119-Y159 HydrophobicContact CZ-CG 4.16Å; I120-Y159 CarbonylContact O-C 3.55Å; I120-Y159 WeakPolarHBondContact O-CA 3.44Å; I120-Y159 WeakPolarHBondContact O-CB 3.47Å; M148-Y159 HydrophobicContact CB-CD2 3.95Å; M148-Y159 HydrophobicContact CB-CE1 4.31Å; M148-Y159 HydrophobicContact CB-CE2 3.55Å; M148-Y159 HydrophobicContact CG-CD2 4.04Å; M148-Y159 HydrophobicContact CG-CE2 3.48Å; M148-Y159 VanDerWaalsContact CG-CE2 3.48Å; M148-Y159 PolarHBondContact N-O 2.87Å; M148-Y159 VanDerWaalsContact N-O 3.16Å; K157-Y159 HydrophobicContact CB-CD1 3.77Å; K157-Y159 HydrophobicContact CB-CE1 3.48Å; K157-Y159 VanDerWaalsContact CB-CE1 3.48Å; K157-Y159 HydrophobicContact CD-CE1 3.91Å; K157-Y159 HydrophobicContact CG-CE1 4.35Å; Y159-F161 HydrophobicContact CD2-CE2 4.05Å; Y159-F161 HydrophobicContact CD2-CZ 4.46Å; Y159-F161 AromaticContact CE2-CE2 3.81Å; Y159-F161 HydrophobicContact CE2-CE2 3.81Å; Y159-F161 HydrophobicContact CE2-CZ 4.27Å
160A88.5Confident85.4Confident0 Ų058.1 Ų58.10%030%0.302CS..EExtended strand (participates in β ladder)trans-138.3169.4176.300000110.6I120 L123 L132 R146 L147I120-A160 PolarHBondContact N-O 3.32Å; I120-A160 PolarHBondContact O-N 3.15Å; L123-A160 HydrophobicContact CD1-CB 3.72Å; L132-A160 HydrophobicContact CD1-CB 3.37Å; R146-A160 WeakPolarHBondContact O-CA 3.27Å; L147-A160 HydrophobicContact CB-CB 4.45Å; L147-A160 HydrophobicContact CD1-CB 4Å
161F89.1Confident85.5Confident23 Ų2359.1 Ų59.110%0.10130%0.304CS..EExtended strand (participates in β ladder)trans-121.8142.2166.1-59.7-91.4000110.2E117 V118 F119 R146 M148 Y159E117-F161 HydrophobicContact CG-CB 3.97Å; E117-F161 HydrophobicContact CG-CD1 4.21Å; E117-F161 WeakPolarHBondContact OE1-CB 3.41Å; E117-F161 WeakPolarHBondContact OE1-CD1 3.39Å; E117-F161 VanDerWaalsContact OE1-CG 3.24Å; E117-F161 WeakPolarHBondContact OE1-CG 3.31Å; V118-F161 CarbonylContact O-C 3.59Å; V118-F161 VanDerWaalsContact O-CA 3.25Å; V118-F161 WeakPolarHBondContact O-CA 3.4Å; F119-F161 HydrophobicContact CB-CD1 4.04Å; F119-F161 HydrophobicContact CB-CE1 3.97Å; F119-F161 HydrophobicContact CD2-CD1 4.23Å; F119-F161 AromaticContact CD2-CE1 3.66Å; F119-F161 HydrophobicContact CD2-CE1 3.66Å; F119-F161 AromaticContact CD2-CZ 3.86Å; F119-F161 HydrophobicContact CD2-CZ 3.86Å; F119-F161 HydrophobicContact CG-CE1 4.31Å; R146-F161 HydrophobicContact CB-CB 4.42Å; R146-F161 PolarHBondContact N-O 3.41Å; R146-F161 PolarHBondContact O-N 2.8Å; M148-F161 HydrophobicContact CE-CD2 4.09Å; M148-F161 HydrophobicContact CE-CE2 3.76Å; M148-F161 HydrophobicContact CG-CD2 4.15Å; M148-F161 HydrophobicContact CG-CE2 4Å; Y159-F161 HydrophobicContact CD2-CE2 4.05Å; Y159-F161 HydrophobicContact CD2-CZ 4.46Å; Y159-F161 AromaticContact CE2-CE2 3.81Å; Y159-F161 HydrophobicContact CE2-CE2 3.81Å; Y159-F161 HydrophobicContact CE2-CZ 4.27Å
162V89.2Confident85.7Confident0 Ų053.6 Ų53.60%029%0.286CS..EExtended strand (participates in β ladder)trans-125.8112.3176.4-179.40000108.1E117 V118 I120 C136 I142 E144 V145 F164E117-V162 CarbonylContact C-O 3.53Å; E117-V162 WeakPolarHBondContact CA-O 3.5Å; V118-V162 PolarHBondContact N-O 3.11Å; V118-V162 PolarHBondContact O-N 3.38Å; I120-V162 HydrophobicContact CD1-CB 4.47Å; I120-V162 HydrophobicContact CD1-CG2 3.64Å; I120-V162 HydrophobicContact CG1-CG2 4.42Å; C136-V162 HydrophobicContact CB-CG1 4.02Å; I142-V162 HydrophobicContact CD1-CG1 4.38Å; I142-V162 HydrophobicContact CG1-CG1 4.16Å; I142-V162 HydrophobicContact CG2-CG1 3.87Å; E144-V162 CarbonylContact O-C 3.59Å; V145-V162 HydrophobicContact CG1-CG2 4.19Å; V145-V162 HydrophobicContact CG2-CG1 4.42Å; V145-V162 HydrophobicContact CG2-CG2 4.44Å; V162-F164 HydrophobicContact CB-CE2 4.18Å; V162-F164 HydrophobicContact CG1-CD2 4.16Å; V162-F164 HydrophobicContact CG1-CE1 4.26Å; V162-F164 HydrophobicContact CG1-CE2 3.66Å; V162-F164 HydrophobicContact CG1-CZ 3.74Å
163A89.2Confident86Confident15 Ų1547.8 Ų47.812%0.12426%0.255CS..EExtended strand (participates in β ladder)trans-87.1120.217200000109.3E117 F143 E144E117-A163 HydrophobicContact CB-CB 4.35Å; F143-A163 WeakPolarHBondContact CA-O 3.42Å; F143-A163 HydrophobicContact CB-CB 4.4Å; F143-A163 WeakPolarHBondContact CB-O 3.33Å; F143-A163 PolarHBondContact N-O 3.4Å; E144-A163 HydrophobicContact CB-CB 4.18Å; E144-A163 PolarHBondContact N-O 3.42Å; E144-A163 VanDerWaalsContact N-O 3.15Å; E144-A163 PolarHBondContact O-N 2.89Å
164F89.9Confident86.2Confident0 Ų045.5 Ų45.50%024%0.236CC..EExtended strand (participates in β ladder)trans-92.5163.4170.6-66.3-85.8000111P112 S116 V118 C136 I142 V162 T166 V169 A170 A173P112-F164 WeakPolarHBondContact CB-O 3.26Å; P112-F164 WeakPolarHBondContact CG-O 3.49Å; S116-F164 VanDerWaalsContact CB-O 3.3Å; S116-F164 WeakPolarHBondContact CB-O 3.24Å; S116-F164 PolarHBondContact O-N 2.74Å; V118-F164 HydrophobicContact CB-CE2 4.25Å; V118-F164 HydrophobicContact CG2-CD2 3.93Å; V118-F164 HydrophobicContact CG2-CE2 3.69Å; C136-F164 HydrophobicContact CB-CE1 3.96Å; C136-F164 HydrophobicContact CB-CZ 3.67Å; I142-F164 HydrophobicContact CG1-CD1 4.2Å; I142-F164 HydrophobicContact CG1-CE1 3.92Å; V162-F164 HydrophobicContact CB-CE2 4.18Å; V162-F164 HydrophobicContact CG1-CD2 4.16Å; V162-F164 HydrophobicContact CG1-CE1 4.26Å; V162-F164 HydrophobicContact CG1-CE2 3.66Å; V162-F164 HydrophobicContact CG1-CZ 3.74Å; F164-T166 VanDerWaalsContact C-N 3.29Å; F164-T166 PolarHBondContact O-N 2.66Å; F164-V169 HydrophobicContact CB-CB 4.33Å; F164-V169 HydrophobicContact CB-CG1 4.17Å; F164-V169 HydrophobicContact CD1-CB 4.42Å; F164-V169 HydrophobicContact CD1-CG1 3.4Å; F164-V169 VanDerWaalsContact CD1-CG1 3.4Å; F164-V169 HydrophobicContact CE1-CG1 3.89Å; F164-V169 HydrophobicContact CG-CB 4.49Å; F164-V169 HydrophobicContact CG-CG1 3.88Å; F164-A170 HydrophobicContact CB-CB 4.28Å; F164-A170 HydrophobicContact CD2-CB 3.83Å; F164-A170 HydrophobicContact CG-CB 4.41Å; F164-A173 HydrophobicContact CD2-CB 4.48Å; F164-A173 HydrophobicContact CE1-CB 4.35Å; F164-A173 HydrophobicContact CE2-CB 3.54Å; F164-A173 HydrophobicContact CZ-CB 3.44Å; F164-A173 VanDerWaalsContact CZ-CB 3.44Å
165K86.8Confident86.5Confident115 Ų11549.7 Ų49.750%0.524%0.244SC..SBendtrans-66.6-27176.8-169175.1-177.6-1780113.8E141E141-K165 HydrophobicContact CB-CB 4.3Å; E141-K165 HydrophobicContact CB-CD 4.21Å; E141-K165 PolarHBondContact O-N 3.42Å; E141-K165 VanDerWaalsContact O-N 3.08Å; E141-K165 IonicContact OE1-NZ 2.61Å; E141-K165 PolarHBondContact OE1-NZ 2.99Å; E141-K165 WeakPolarHBondContact OE2-CD 3.17Å; E141-K165 WeakPolarHBondContact OE2-CE 3.41Å; E141-K165 IonicContact OE2-NZ 2.82Å; E141-K165 PolarHBondContact OE2-NZ 3.44Å
166T86Confident86.6Confident57 Ų5750.8 Ų50.835%0.3525%0.247SC..SBendtrans-136.2153.3-17966.70000112.1F164 D168 V169 A170F164-T166 VanDerWaalsContact C-N 3.29Å; F164-T166 PolarHBondContact O-N 2.66Å; T166-D168 VanDerWaalsContact C-N 3.28Å; T166-D168 PolarHBondContact O-N 3.44Å; T166-V169 VanDerWaalsContact OG1-CG2 3.31Å; T166-V169 WeakPolarHBondContact OG1-CG2 3.29Å; T166-V169 PolarHBondContact OG1-N 2.78Å; T166-A170 PolarHBondContact O-N 2.75Å
167K86.3Confident86.4Confident78 Ų7850.3 Ų50.334%0.33924%0.244SC..Hα-helixtrans-64.2-33.6176.1-55.5-168.6-170.3-152.30112.1P113 H114 S116 A170 Q171P113-K167 HydrophobicContact CG-CG 4.46Å; H114-K167 PolarHBondContact CD2-NZ 3.35Å; H114-K167 PolarHBondContact NE2-NZ 3.24Å; H114-K167 WeakPolarHBondContact O-CD 3.41Å; H114-K167 WeakPolarHBondContact O-CE 3.41Å; H114-K167 PolarHBondContact O-NZ 3.13Å; S116-K167 WeakPolarHBondContact OG-CG 3.47Å; K167-A170 WeakPolarHBondContact O-CB 3.14Å; K167-A170 PolarHBondContact O-N 2.88Å; K167-Q171 PolarHBondContact O-N 2.84Å
168D86.9Confident86Confident124 Ų12449.9 Ų49.966%0.66324%0.244SC*.Hα-helixtrans-69.1-41.1-177.6-47.9-61.3000111.7T166 Q171 K172T166-D168 VanDerWaalsContact C-N 3.28Å; T166-D168 PolarHBondContact O-N 3.44Å; D168-Q171 PolarHBondContact O-N 3.36Å; D168-K172 PolarHBondContact O-N 3.14Å
169V88.6Confident85.1Confident35 Ų3552.6 Ų52.621%0.21226%0.26CS..Hα-helixtrans-66.9-39.5173.8175.70000110.6F164 T166 Q171 K172 A173F164-V169 HydrophobicContact CB-CB 4.33Å; F164-V169 HydrophobicContact CB-CG1 4.17Å; F164-V169 HydrophobicContact CD1-CB 4.42Å; F164-V169 HydrophobicContact CD1-CG1 3.4Å; F164-V169 VanDerWaalsContact CD1-CG1 3.4Å; F164-V169 HydrophobicContact CE1-CG1 3.89Å; F164-V169 HydrophobicContact CG-CB 4.49Å; F164-V169 HydrophobicContact CG-CG1 3.88Å; T166-V169 VanDerWaalsContact OG1-CG2 3.31Å; T166-V169 WeakPolarHBondContact OG1-CG2 3.29Å; T166-V169 PolarHBondContact OG1-N 2.78Å; V169-Q171 VanDerWaalsContact C-N 3.34Å; V169-Q171 PolarHBondContact O-N 2.74Å; V169-K172 PolarHBondContact O-N 2.96Å; V169-A173 WeakPolarHBondContact O-CB 3.5Å; V169-A173 PolarHBondContact O-N 3.02Å
170A87.3Confident84.3Confident0 Ų053.4 Ų53.40%027%0.265CS..Hα-helixtrans-61.9-39.4174.200000112.7G115 S116 V118 F164 T166 K167 I174G115-A170 WeakPolarHBondContact O-CB 3.48Å; S116-A170 WeakPolarHBondContact O-CB 3.18Å; V118-A170 HydrophobicContact CG2-CB 3.75Å; V118-A170 VanDerWaalsContact CG2-O 3.25Å; V118-A170 WeakPolarHBondContact CG2-O 3.46Å; F164-A170 HydrophobicContact CB-CB 4.28Å; F164-A170 HydrophobicContact CD2-CB 3.83Å; F164-A170 HydrophobicContact CG-CB 4.41Å; T166-A170 PolarHBondContact O-N 2.75Å; K167-A170 WeakPolarHBondContact O-CB 3.14Å; K167-A170 PolarHBondContact O-N 2.88Å; A170-I174 WeakPolarHBondContact O-CG1 3.35Å; A170-I174 PolarHBondContact O-N 3.18Å; A170-I174 VanDerWaalsContact O-N 3.16Å
171Q85.7Confident83.2Confident88 Ų8861 Ų6141%0.41130%0.3SS..Hα-helixtrans-67.6-45.8174.5-168.3-175.7-46.200111.4K167 D168 V169 A173 I174 E175K167-Q171 PolarHBondContact O-N 2.84Å; D168-Q171 PolarHBondContact O-N 3.36Å; V169-Q171 VanDerWaalsContact C-N 3.34Å; V169-Q171 PolarHBondContact O-N 2.74Å; Q171-A173 VanDerWaalsContact C-N 3.29Å; Q171-A173 PolarHBondContact O-N 3.46Å; Q171-I174 WeakPolarHBondContact O-CB 3.29Å; Q171-I174 PolarHBondContact O-N 3.06Å; Q171-E175 WeakPolarHBondContact CG-OE1 3.28Å; Q171-E175 PolarHBondContact NE2-OE1 3.35Å; Q171-E175 PolarHBondContact O-N 3.3Å
172K86.6Confident82.1Confident97 Ų9761.2 Ų61.242%0.42230%0.301SS..Hα-helixtrans-56.8-43.3174.2-177.1176.3-175.5-80.70111.5I139 D168 V169 I174 E175 E176I139-K172 HydrophobicContact CG2-CB 4.29Å; I139-K172 HydrophobicContact CG2-CD 4.09Å; I139-K172 HydrophobicContact CG2-CG 3.88Å; D168-K172 PolarHBondContact O-N 3.14Å; V169-K172 PolarHBondContact O-N 2.96Å; K172-I174 VanDerWaalsContact C-N 3.25Å; K172-I174 PolarHBondContact O-N 3.26Å; K172-E175 PolarHBondContact O-N 3.47Å; K172-E175 VanDerWaalsContact O-N 3.15Å; K172-E176 IonicContact NZ-OE2 3.09Å; K172-E176 PolarHBondContact NZ-OE2 2.79Å; K172-E176 VanDerWaalsContact O-CB 3.26Å; K172-E176 WeakPolarHBondContact O-CB 3.44Å; K172-E176 PolarHBondContact O-N 3.48Å
173A86.4Confident80.7Confident0 Ų065.5 Ų65.50%032%0.32CS..Hα-helixtrans-62.6-31176.900000113.1V118 I139 F164 V169 Q171 L177V118-A173 HydrophobicContact CG2-CB 4.46Å; I139-A173 HydrophobicContact CD1-CB 4.07Å; I139-A173 HydrophobicContact CG2-CB 4.04Å; F164-A173 HydrophobicContact CD2-CB 4.48Å; F164-A173 HydrophobicContact CE1-CB 4.35Å; F164-A173 HydrophobicContact CE2-CB 3.54Å; F164-A173 HydrophobicContact CZ-CB 3.44Å; F164-A173 VanDerWaalsContact CZ-CB 3.44Å; V169-A173 WeakPolarHBondContact O-CB 3.5Å; V169-A173 PolarHBondContact O-N 3.02Å; Q171-A173 VanDerWaalsContact C-N 3.29Å; Q171-A173 PolarHBondContact O-N 3.46Å; A173-L177 WeakPolarHBondContact O-CB 3.46Å; A173-L177 VanDerWaalsContact O-CG 3.32Å; A173-L177 WeakPolarHBondContact O-CG 3.35Å; A173-L177 PolarHBondContact O-N 3.44Å
174I85.8Confident79Confident27 Ų2769.6 Ų69.614%0.13835%0.353CS..Hα-helixtrans-71.2-49.6171-67.5159.5000110.2V118 A170 Q171 K172 E176 H178 C190 S191 L192V118-I174 HydrophobicContact CB-CG1 4.39Å; V118-I174 HydrophobicContact CG1-CD1 4.27Å; V118-I174 HydrophobicContact CG1-CG1 3.62Å; V118-I174 HydrophobicContact CG2-CD1 4.04Å; V118-I174 HydrophobicContact CG2-CG1 3.92Å; A170-I174 WeakPolarHBondContact O-CG1 3.35Å; A170-I174 PolarHBondContact O-N 3.18Å; A170-I174 VanDerWaalsContact O-N 3.16Å; Q171-I174 WeakPolarHBondContact O-CB 3.29Å; Q171-I174 PolarHBondContact O-N 3.06Å; K172-I174 VanDerWaalsContact C-N 3.25Å; K172-I174 PolarHBondContact O-N 3.26Å; I174-E176 PolarHBondContact O-N 2.89Å; I174-H178 WeakPolarHBondContact O-CB 3.24Å; I174-H178 PolarHBondContact O-N 2.8Å; I174-C190 HydrophobicContact CG1-CB 4.39Å; I174-S191 VanDerWaalsContact CD1-C 3.45Å; I174-L192 HydrophobicContact CD1-CB 4.15Å; I174-L192 HydrophobicContact CD1-CD2 3.5Å; I174-L192 VanDerWaalsContact CD1-CD2 3.5Å; I174-L192 HydrophobicContact CD1-CG 3.49Å; I174-L192 VanDerWaalsContact CD1-CG 3.49Å; I174-L192 VanDerWaalsContact CD1-N 3.26Å
175E84.3Confident77.3Confident134 Ų13475 Ų7563%0.62639%0.392SS*.Hα-helixtrans-60-33.8-178.8-69.4170.4-167.700112.6Q171 K172Q171-E175 WeakPolarHBondContact CG-OE1 3.28Å; Q171-E175 PolarHBondContact NE2-OE1 3.35Å; Q171-E175 PolarHBondContact O-N 3.3Å; K172-E175 PolarHBondContact O-N 3.47Å; K172-E175 VanDerWaalsContact O-N 3.15Å
176E83Confident76.1Confident75 Ų7571.2 Ų71.235%0.3538%0.379SS..Hα-helixtrans-93.8-28.6-175.6-170.4173.8170.900114.5I139 K172 I174I139-E176 HydrophobicContact CD1-CB 4.16Å; I139-E176 HydrophobicContact CD1-CG 4.22Å; K172-E176 IonicContact NZ-OE2 3.09Å; K172-E176 PolarHBondContact NZ-OE2 2.79Å; K172-E176 VanDerWaalsContact O-CB 3.26Å; K172-E176 WeakPolarHBondContact O-CB 3.44Å; K172-E176 PolarHBondContact O-N 3.48Å; I174-E176 PolarHBondContact O-N 2.89Å
177L79.8Confident75Confident1 Ų171.8 Ų71.81%0.00538%0.383CS..Hα-helixtrans-100.9-14.9178.6-58.2178.1000113.9L135 C136 I139 A173 S179 K180 C190L135-L177 HydrophobicContact CD1-CD2 3.75Å; L135-L177 HydrophobicContact CD2-CD1 4.16Å; L135-L177 HydrophobicContact CD2-CD2 3.98Å; L135-L177 HydrophobicContact CG-CD1 4.17Å; L135-L177 HydrophobicContact CG-CD2 3.76Å; C136-L177 VanDerWaalsContact SG-CD1 3.59Å; I139-L177 HydrophobicContact CD1-CD1 3.69Å; I139-L177 HydrophobicContact CD1-CD2 3.72Å; I139-L177 HydrophobicContact CD1-CG 3.44Å; I139-L177 VanDerWaalsContact CD1-CG 3.44Å; A173-L177 WeakPolarHBondContact O-CB 3.46Å; A173-L177 VanDerWaalsContact O-CG 3.32Å; A173-L177 WeakPolarHBondContact O-CG 3.35Å; A173-L177 PolarHBondContact O-N 3.44Å; L177-S179 PolarHBondContact O-N 2.76Å; L177-K180 HydrophobicContact CD2-CD 3.81Å; L177-K180 PolarHBondContact O-N 3.26Å; L177-K180 VanDerWaalsContact O-N 3.16Å; L177-C190 HydrophobicContact CB-CB 4.33Å; L177-C190 WeakPolarHBondContact CB-SG 3.3Å
178H74.5Confident74.1Confident96 Ų9668.2 Ų68.244%0.44437%0.368SS..THydrogen-bonded Turntrans-66.7120.1179.1-175.789.7000110.4I174 K180 C190I174-H178 WeakPolarHBondContact O-CB 3.24Å; I174-H178 PolarHBondContact O-N 2.8Å; H178-K180 VanDerWaalsContact C-N 3.26Å; H178-K180 PolarHBondContact O-N 2.98Å; H178-C190 HydrophobicContact CB-CB 4.22Å; H178-C190 PolarHBondContact ND1-O 3.16Å
179S66.2Low73.6Confident72 Ų7265.8 Ų65.850%0.50336%0.355SS..THydrogen-bonded Turntrans69.28.2-173.3-52.80000116.2L177 A188L177-S179 PolarHBondContact O-N 2.76Å; S179-A188 PolarHBondContact N-O 3.23Å
180K69.6Low73.1Confident84 Ų8464.1 Ų64.137%0.36535%0.345SS..  trans-66.6134168.8-162.1172.4-176177.40109E138 L177 H178 F182 A188E138-K180 IonicContact OE2-NZ 3.66Å; L177-K180 HydrophobicContact CD2-CD 3.81Å; L177-K180 PolarHBondContact O-N 3.26Å; L177-K180 VanDerWaalsContact O-N 3.16Å; H178-K180 VanDerWaalsContact C-N 3.26Å; H178-K180 PolarHBondContact O-N 2.98Å; K180-F182 PolarHBondContact O-N 2.66Å; K180-A188 PolarHBondContact O-N 3.34Å; K180-A188 VanDerWaalsContact O-N 3.07Å
181E67.1Low72.5Confident160 Ų16066.6 Ų66.675%0.74836%0.362SS*.EExtended strand (participates in β ladder)trans-70124176.2-68.2-163156.300110.2
182F65.4Low72.1Confident27 Ų2766.1 Ų66.112%0.11836%0.362CS..EExtended strand (participates in β ladder)trans-119.9122.1-179.9-166.1-124.4000110.6L123 V127 D131 L132 L135 K180 A184 S186 A188L123-F182 HydrophobicContact CD2-CD1 3.79Å; L123-F182 HydrophobicContact CD2-CE1 4.02Å; V127-F182 HydrophobicContact CB-CE1 4.27Å; V127-F182 HydrophobicContact CG1-CE1 3.83Å; V127-F182 HydrophobicContact CG2-CD1 3.95Å; V127-F182 HydrophobicContact CG2-CE1 3.39Å; V127-F182 HydrophobicContact CG2-CZ 4.28Å; D131-F182 HydrophobicContact CB-CZ 3.97Å; L132-F182 HydrophobicContact CD2-CE1 4.08Å; L132-F182 HydrophobicContact CD2-CZ 4.39Å; L135-F182 HydrophobicContact CB-CE2 4.38Å; L135-F182 HydrophobicContact CD2-CD2 3.86Å; L135-F182 HydrophobicContact CD2-CE2 3.7Å; L135-F182 HydrophobicContact CD2-CZ 4.19Å; L135-F182 HydrophobicContact CG-CE2 4.43Å; K180-F182 PolarHBondContact O-N 2.66Å; F182-A184 PolarHBondContact O-N 2.89Å; F182-S186 PolarHBondContact N-O 3.32Å; F182-A188 HydrophobicContact CB-CB 4.38Å
183K59.6Low71.3Confident90 Ų9061.9 Ų61.939%0.39134%0.344SS..THydrogen-bonded Turntrans43.560.2-175-69-172.4178.5177.30113.8P124 V127 D131 S185P124-K183 HydrophobicContact CG-CB 4.47Å; V127-K183 HydrophobicContact CG2-CD 3.98Å; D131-K183 WeakPolarHBondContact OD1-CE 3.14Å; D131-K183 IonicContact OD1-NZ 2.78Å; D131-K183 PolarHBondContact OD1-NZ 2.79Å; D131-K183 IonicContact OD2-NZ 3.14Å; D131-K183 PolarHBondContact OD2-NZ 2.93Å; K183-S185 PolarHBondContact O-N 2.88Å
184A52.4Low70.5Confident101 Ų10166 Ų6684%0.83537%0.366SS*.THydrogen-bonded Turntrans58.73.6157.900000119.5F182F182-A184 PolarHBondContact O-N 2.89Å
185S55Low69.9Low115 Ų11565.5 Ų65.580%0.80437%0.365SS*.THydrogen-bonded Turntrans-155.810.2174.9-172.40000114.6K183K183-S185 PolarHBondContact O-N 2.88Å
186S60.7Low69.8Low34 Ų3459.7 Ų59.724%0.23834%0.338CS..EExtended strand (participates in β ladder)trans-139.8130.6-175.6-109.30000111.2G122 F182G122-S186 WeakPolarHBondContact O-CB 3.47Å; G122-S186 PolarHBondContact O-OG 2.93Å; F182-S186 PolarHBondContact N-O 3.32Å
187T64.7Low70.1Confident69 Ų6958.1 Ų58.142%0.42333%0.329SS..EExtended strand (participates in β ladder)trans-87.6123.6169.548.10000109.5N189T187-N189 PolarHBondContact O-N 3.41Å; T187-N189 PolarHBondContact O-ND2 3.16Å
188A67.4Low70.7Confident3 Ų358 Ų583%0.02533%0.329CS..  trans-69.4113.6175.700000109.3I120 S179 K180 F182 C190I120-A188 HydrophobicContact CG2-CB 4.27Å; S179-A188 PolarHBondContact N-O 3.23Å; K180-A188 PolarHBondContact O-N 3.34Å; K180-A188 VanDerWaalsContact O-N 3.07Å; F182-A188 HydrophobicContact CB-CB 4.38Å; A188-C190 PolarHBondContact O-N 3.23Å
189N75.5Confident71.6Confident73 Ų7356 Ų5639%0.3932%0.319SS..EExtended strand (participates in β ladder)trans-9484.6179.4-79.2-99000108.9G121 T187G121-N189 PolarHBondContact N-O 3.45Å; G121-N189 PolarHBondContact O-N 3.06Å; T187-N189 PolarHBondContact O-N 3.41Å; T187-N189 PolarHBondContact O-ND2 3.16Å
190C78.5Confident72.8Confident1 Ų152.6 Ų52.61%0.00730%0.295CS..EExtended strand (participates in β ladder)trans-83.2136.9-179-59.10000111V118 F119 I174 L177 H178 A188V118-C190 HydrophobicContact CG1-CB 4.24Å; F119-C190 CarbonylContact O-C 3.51Å; F119-C190 VanDerWaalsContact O-CA 3.3Å; F119-C190 WeakPolarHBondContact O-CA 3.33Å; I174-C190 HydrophobicContact CG1-CB 4.39Å; L177-C190 HydrophobicContact CB-CB 4.33Å; L177-C190 WeakPolarHBondContact CB-SG 3.3Å; H178-C190 HydrophobicContact CB-CB 4.22Å; H178-C190 PolarHBondContact ND1-O 3.16Å; A188-C190 PolarHBondContact O-N 3.23Å
191S74.7Confident73.9Confident52 Ų5248.8 Ų48.836%0.36428%0.28SS..EExtended strand (participates in β ladder)trans-156.8159.5176560000111.2F119 I174 S193F119-S191 WeakPolarHBondContact CD1-OG 3.24Å; F119-S191 PolarHBondContact N-O 2.79Å; F119-S191 PolarHBondContact O-N 3.44Å; I174-S191 VanDerWaalsContact CD1-C 3.45Å; S191-S193 PolarHBondContact O-N 2.85Å
192L76.6Confident75Confident78 Ų7845 Ų4541%0.40826%0.264SS..EExtended strand (participates in β ladder)trans-63.4130.8175.3-75.2173.1000109.5G115 I174 L194G115-L192 WeakPolarHBondContact O-CD2 3.42Å; I174-L192 HydrophobicContact CD1-CB 4.15Å; I174-L192 HydrophobicContact CD1-CD2 3.5Å; I174-L192 VanDerWaalsContact CD1-CD2 3.5Å; I174-L192 HydrophobicContact CD1-CG 3.49Å; I174-L192 VanDerWaalsContact CD1-CG 3.49Å; I174-L192 VanDerWaalsContact CD1-N 3.26Å; L192-L194 PolarHBondContact O-N 3.36Å
193S70.6Confident76.1Confident7 Ų743.9 Ų43.95%0.04926%0.26CS..  trans-68.8129171.469.80000109.9E117 S191 S195E117-S193 WeakPolarHBondContact CB-OG 3.49Å; E117-S193 VanDerWaalsContact CG-OG 3.27Å; E117-S193 WeakPolarHBondContact CG-OG 3.46Å; E117-S193 VanDerWaalsContact O-CB 3.23Å; E117-S193 WeakPolarHBondContact O-CB 3.42Å; E117-S193 PolarHBondContact O-N 2.76Å; E117-S193 PolarHBondContact O-OG 3.32Å; E117-S193 PolarHBondContact OE2-OG 2.87Å; S191-S193 PolarHBondContact O-N 2.85Å; S193-S195 VanDerWaalsContact C-N 3.3Å; S193-S195 WeakPolarHBondContact CB-OG 3.37Å; S193-S195 PolarHBondContact OG-OG 2.67Å
194L68.7Low77.5Confident88 Ų8840 Ų4046%0.46124%0.243SC..  trans-103.323.8175.7-63.8168.9000110.9L192 N196 P278L192-L194 PolarHBondContact O-N 3.36Å; L194-N196 PolarHBondContact O-N 2.92Å; L194-P278 HydrophobicContact CB-CG 4.46Å; L194-P278 HydrophobicContact CD1-CB 3.5Å; L194-P278 VanDerWaalsContact CD1-CB 3.5Å; L194-P278 HydrophobicContact CD1-CG 3.85Å
195S73.8Confident79.1Confident16 Ų1640.4 Ų40.411%0.11223%0.226CC..THydrogen-bonded Turntrans-76.98.9-174.857.60000113.1E117 S193 N249 W275E117-S195 PolarHBondContact OE2-OG 3.31Å; S193-S195 VanDerWaalsContact C-N 3.3Å; S193-S195 WeakPolarHBondContact CB-OG 3.37Å; S193-S195 PolarHBondContact OG-OG 2.67Å; S195-N249 WeakPolarHBondContact CB-ND2 3.27Å; S195-N249 PolarHBondContact O-ND2 2.82Å; S195-W275 WeakPolarHBondContact O-CH2 3.37Å; S195-W275 WeakPolarHBondContact O-CZ3 3.14Å
196N83.1Confident80.6Confident12 Ų1239.6 Ų39.66%0.06421%0.213CC..THydrogen-bonded Turntrans-100.82.2176.374.9-49.5000113.5H114 L194 L245 Y246H114-N196 HydrophobicContact CB-CB 3.92Å; H114-N196 WeakPolarHBondContact CB-ND2 3.3Å; L194-N196 PolarHBondContact O-N 2.92Å; N196-L245 WeakPolarHBondContact ND2-CD1 3.27Å; N196-Y246 WeakPolarHBondContact CB-O 3.15Å; N196-Y246 PolarHBondContact ND2-O 2.99Å; N196-Y246 PolarHBondContact O-N 3.36Å
197R89.3Confident81.8Confident41 Ų4139.2 Ų39.216%0.15521%0.206CC..EExtended strand (participates in β ladder)trans-112.2124-179.5-166.9-175.2176.8114.39.2111.4E227 F243 V244 L245 A276R197-E227 IonicContact CZ-OE2 3.91Å; R197-E227 IonicContact NH2-OE2 2.72Å; R197-E227 PolarHBondContact NH2-OE2 2.91Å; R197-F243 VanDerWaalsContact NH2-CG 3.26Å; R197-V244 CarbonylContact C-O 3.54Å; R197-V244 WeakPolarHBondContact CA-O 3.18Å; R197-L245 HydrophobicContact CB-CD1 4.06Å; R197-L245 HydrophobicContact CG-CD1 4.3Å; R197-A276 HydrophobicContact CB-CB 4Å; R197-A276 HydrophobicContact CG-CB 3.63Å; R197-A276 WeakPolarHBondContact O-CB 3.47Å; R197-A276 PolarHBondContact O-N 2.9Å
198L91.3Very high82.9Confident0 Ų039 Ų390%021%0.205CC..EExtended strand (participates in β ladder)trans-97.6145172.6-60.8-175000111.5I200 F243 V244 Y246 A252 R256 V273 W275L198-I200 HydrophobicContact CB-CG1 4.29Å; L198-F243 CarbonylContact O-C 3.53Å; L198-F243 VanDerWaalsContact O-CA 3.25Å; L198-F243 WeakPolarHBondContact O-CA 3.19Å; L198-V244 PolarHBondContact N-O 3.27Å; L198-V244 PolarHBondContact O-N 3.22Å; L198-Y246 HydrophobicContact CB-CE2 4.49Å; L198-Y246 HydrophobicContact CD1-CD2 4.42Å; L198-Y246 HydrophobicContact CD1-CE2 3.62Å; L198-Y246 HydrophobicContact CG-CD2 4.31Å; L198-Y246 HydrophobicContact CG-CE2 3.9Å; L198-A252 HydrophobicContact CD2-CB 4.42Å; L198-A252 HydrophobicContact CG-CB 4.4Å; L198-R256 HydrophobicContact CD1-CB 3.91Å; L198-R256 HydrophobicContact CD2-CB 3.88Å; L198-R256 HydrophobicContact CD2-CG 4.35Å; L198-V273 HydrophobicContact CB-CG1 4.47Å; L198-V273 HydrophobicContact CD1-CG1 3.95Å; L198-V273 HydrophobicContact CD2-CG1 4.46Å; L198-W275 HydrophobicContact CD2-CD2 4.31Å; L198-W275 HydrophobicContact CD2-CE3 3.52Å; L198-W275 HydrophobicContact CD2-CH2 4.14Å; L198-W275 HydrophobicContact CD2-CZ3 3.39Å
199F92.5Very high83.9Confident53 Ų5342.1 Ų42.123%0.23222%0.219CC..EExtended strand (participates in β ladder)trans-97.3128.6158.1168.6-89.7000108F241 F243 V273 T274 A276F199-F241 HydrophobicContact CD2-CD2 4.14Å; F199-F241 HydrophobicContact CE2-CB 3.68Å; F199-F241 AromaticContact CE2-CD2 3.47Å; F199-F241 HydrophobicContact CE2-CD2 3.47Å; F199-F241 VanDerWaalsContact CE2-CD2 3.47Å; F199-F241 HydrophobicContact CE2-CE2 4.17Å; F199-F241 AromaticContact CE2-CG 3.68Å; F199-F241 HydrophobicContact CE2-CG 3.68Å; F199-F241 HydrophobicContact CZ-CB 3.78Å; F199-F241 HydrophobicContact CZ-CD2 4.36Å; F199-F241 HydrophobicContact CZ-CG 4.12Å; F199-F243 HydrophobicContact CB-CD1 4.22Å; F199-F243 HydrophobicContact CB-CE1 4.19Å; F199-F243 HydrophobicContact CD2-CD1 4.26Å; F199-F243 AromaticContact CD2-CE1 3.77Å; F199-F243 HydrophobicContact CD2-CE1 3.77Å; F199-F243 HydrophobicContact CD2-CZ 4.12Å; F199-F243 HydrophobicContact CG-CE1 4.48Å; F199-V273 WeakPolarHBondContact O-CA 3.47Å; F199-T274 PolarHBondContact N-O 2.91Å; F199-T274 PolarHBondContact O-N 2.93Å; F199-A276 HydrophobicContact CB-CB 4.3Å
200I92.5Very high84.5Confident1 Ų143.3 Ų43.31%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-122.7104.5177.9-58.8177.8000107.4L198 I203 F212 I216 F241 A242 V244 M259 P271 V273L198-I200 HydrophobicContact CB-CG1 4.29Å; I200-I203 HydrophobicContact CG2-CD1 4.19Å; I200-I203 HydrophobicContact CG2-CG1 4.1Å; I200-I203 WeakPolarHBondContact O-CD1 3.25Å; I200-F212 HydrophobicContact CB-CZ 4.05Å; I200-F212 HydrophobicContact CD1-CZ 3.92Å; I200-F212 HydrophobicContact CG2-CE2 4.04Å; I200-F212 HydrophobicContact CG2-CZ 3.88Å; I200-I216 HydrophobicContact CD1-CD1 3.57Å; I200-F241 CarbonylContact O-C 3.45Å; I200-F241 WeakPolarHBondContact O-CA 3.23Å; I200-F241 WeakPolarHBondContact O-CB 3.41Å; I200-A242 PolarHBondContact N-O 3.02Å; I200-A242 PolarHBondContact O-N 2.83Å; I200-V244 HydrophobicContact CD1-CB 4.43Å; I200-V244 HydrophobicContact CD1-CG2 3.76Å; I200-M259 HydrophobicContact CD1-CE 4.36Å; I200-M259 HydrophobicContact CD1-SD 3.59Å; I200-M259 VanDerWaalsContact CD1-SD 3.59Å; I200-M259 HydrophobicContact CG1-SD 4.46Å; I200-P271 HydrophobicContact CG2-CB 4.17Å; I200-V273 HydrophobicContact CG1-CG1 4.19Å; I200-V273 HydrophobicContact CG1-CG2 4.14Å; I200-V273 HydrophobicContact CG2-CG2 4.25Å
201G91.6Very high85Confident4 Ų447.5 Ų47.54%0.04125%0.245CC..EExtended strand (participates in β ladder)trans-98.8173.517600000113.3I203 G240 P271 T272G201-I203 VanDerWaalsContact C-N 3.28Å; G201-I203 PolarHBondContact O-N 3.25Å; G201-G240 CarbonylContact C-O 3.56Å; G201-P271 WeakPolarHBondContact O-CA 3.45Å; G201-T272 PolarHBondContact N-O 3.48Å; G201-T272 PolarHBondContact O-N 3.14Å
202N90.2Very high85.8Confident80 Ų8045 Ų4543%0.42823%0.228SC..  trans63.529.1-177.6-154.435.6000114.1G240 A270N202-G240 PolarHBondContact N-O 2.71Å; N202-A270 PolarHBondContact ND2-O 2.85Å
203I90.3Very high86.5Confident4 Ų444.4 Ų44.42%0.02122%0.22CC..  trans-69.7137.8174.1-56.3177.1000109.3I200 G201 K205 W207 F212 L228 G240 A242 L266I200-I203 HydrophobicContact CG2-CD1 4.19Å; I200-I203 HydrophobicContact CG2-CG1 4.1Å; I200-I203 WeakPolarHBondContact O-CD1 3.25Å; G201-I203 VanDerWaalsContact C-N 3.28Å; G201-I203 PolarHBondContact O-N 3.25Å; I203-K205 PolarHBondContact O-N 2.92Å; I203-W207 HydrophobicContact CG2-CB 4.3Å; I203-W207 HydrophobicContact CG2-CE3 4.18Å; I203-F212 HydrophobicContact CD1-CD1 4.46Å; I203-F212 HydrophobicContact CD1-CD2 3.93Å; I203-F212 HydrophobicContact CD1-CE1 4.03Å; I203-F212 HydrophobicContact CD1-CE2 3.42Å; I203-F212 VanDerWaalsContact CD1-CE2 3.42Å; I203-F212 HydrophobicContact CD1-CG 4.43Å; I203-F212 HydrophobicContact CD1-CZ 3.47Å; I203-F212 VanDerWaalsContact CD1-CZ 3.47Å; I203-F212 HydrophobicContact CG1-CD2 4.39Å; I203-F212 HydrophobicContact CG1-CE2 3.89Å; I203-F212 HydrophobicContact CG1-CZ 4.35Å; I203-F212 HydrophobicContact CG2-CD2 4.11Å; I203-F212 HydrophobicContact CG2-CE2 4.45Å; I203-L228 HydrophobicContact CD1-CD1 3.97Å; I203-L228 HydrophobicContact CG2-CD1 4.46Å; I203-G240 PolarHBondContact N-O 3.11Å; I203-G240 WeakPolarHBondContact O-CA 3.19Å; I203-A242 HydrophobicContact CD1-CB 3.47Å; I203-A242 VanDerWaalsContact CD1-CB 3.47Å; I203-L266 HydrophobicContact CG1-CD1 4.18Å
204P87.4Confident87.4Confident7 Ų751 Ų515%0.04525%0.248CC..  trans-57.6130.2175.3-24.134.4000112.1N206 W207 N238 L266 E267P204-N206 WeakPolarHBondContact CB-OD1 3.47Å; P204-N206 PolarHBondContact O-N 2.77Å; P204-N206 VanDerWaalsContact O-N 3.15Å; P204-W207 HydrophobicContact CB-CD2 4.36Å; P204-W207 HydrophobicContact CB-CG 4.02Å; P204-W207 HydrophobicContact CG-CD2 4.09Å; P204-W207 HydrophobicContact CG-CG 4.28Å; P204-W207 HydrophobicContact CG-CZ2 4.39Å; P204-W207 WeakPolarHBondContact O-CB 2.94Å; P204-W207 PolarHBondContact O-N 3.45Å; P204-N238 PolarHBondContact O-ND2 3.12Å; P204-L266 HydrophobicContact CG-CB 4.04Å; P204-E267 HydrophobicContact CG-CB 4Å; P204-E267 HydrophobicContact CG-CG 4.31Å
205K86.9Confident88.5Confident111 Ų11148.8 Ų48.848%0.48324%0.238SC..THydrogen-bonded Turntrans-68.8-14.5-171.4-66-166.4177.1-165.80115.3I203 R237 N238I203-K205 PolarHBondContact O-N 2.92Å; K205-R237 WeakPolarHBondContact O-CA 3.32Å; K205-N238 WeakPolarHBondContact CA-OD1 3.21Å; K205-N238 PolarHBondContact O-N 3.34Å
206N86.3Confident89.3Confident98 Ų9848.1 Ų48.152%0.52423%0.233SC..THydrogen-bonded Turntrans-77.8-22.9172.748.3-42.4000113.1P204 E267P204-N206 WeakPolarHBondContact CB-OD1 3.47Å; P204-N206 PolarHBondContact O-N 2.77Å; P204-N206 VanDerWaalsContact O-N 3.15Å; N206-E267 PolarHBondContact ND2-OE1 3.42Å; N206-E267 PolarHBondContact ND2-OE2 3.05Å
207W86.1Confident89.6Confident25 Ų2551.8 Ų51.810%0.09525%0.25CS..  trans-70.8133.1-174.1-76.714.9000113I203 P204 F212 V215 N238 L266 E267I203-W207 HydrophobicContact CG2-CB 4.3Å; I203-W207 HydrophobicContact CG2-CE3 4.18Å; P204-W207 HydrophobicContact CB-CD2 4.36Å; P204-W207 HydrophobicContact CB-CG 4.02Å; P204-W207 HydrophobicContact CG-CD2 4.09Å; P204-W207 HydrophobicContact CG-CG 4.28Å; P204-W207 HydrophobicContact CG-CZ2 4.39Å; P204-W207 WeakPolarHBondContact O-CB 2.94Å; P204-W207 PolarHBondContact O-N 3.45Å; W207-F212 HydrophobicContact CE3-CB 4.05Å; W207-F212 AromaticContact CE3-CD2 3.91Å; W207-F212 HydrophobicContact CE3-CD2 3.91Å; W207-F212 HydrophobicContact CE3-CG 4.48Å; W207-F212 HydrophobicContact CZ3-CD2 4.01Å; W207-V215 HydrophobicContact CH2-CB 4.29Å; W207-V215 HydrophobicContact CH2-CG1 4.22Å; W207-V215 HydrophobicContact CH2-CG2 3.8Å; W207-V215 HydrophobicContact CZ3-CB 4.17Å; W207-V215 HydrophobicContact CZ3-CG1 4.29Å; W207-V215 HydrophobicContact CZ3-CG2 4.05Å; W207-N238 PolarHBondContact O-ND2 2.9Å; W207-L266 HydrophobicContact CH2-CB 3.9Å; W207-L266 HydrophobicContact CH2-CD2 3.73Å; W207-L266 HydrophobicContact CH2-CG 4.32Å; W207-L266 HydrophobicContact CZ2-CB 4.37Å; W207-L266 HydrophobicContact CZ3-CB 4.21Å; W207-L266 HydrophobicContact CZ3-CD1 4.33Å; W207-L266 HydrophobicContact CZ3-CD2 3.78Å; W207-L266 HydrophobicContact CZ3-CG 4.32Å; W207-E267 HydrophobicContact CZ2-CG 3.89Å; W207-E267 PolarHBondContact NE1-OE1 3.16Å
208T87.3Confident89.5Confident66 Ų6654.6 Ų54.641%0.40527%0.268SS..  trans-77.8168167.159.50000111.5D210 E211 F212T208-D210 VanDerWaalsContact C-N 3.29Å; T208-D210 PolarHBondContact O-N 2.98Å; T208-E211 WeakPolarHBondContact CB-OE2 3.33Å; T208-E211 PolarHBondContact N-OE2 3.07Å; T208-E211 VanDerWaalsContact OG1-CD 3.24Å; T208-E211 VanDerWaalsContact OG1-CG 3.27Å; T208-E211 WeakPolarHBondContact OG1-CG 2.95Å; T208-E211 PolarHBondContact OG1-N 2.9Å; T208-E211 PolarHBondContact OG1-OE2 2.75Å; T208-F212 WeakPolarHBondContact O-CB 3.17Å; T208-F212 PolarHBondContact O-N 3.39Å; T208-F212 VanDerWaalsContact O-N 3.16Å
209E87.9Confident89.4Confident67 Ų6755 Ų5531%0.31327%0.27SS..Hα-helixtrans-62.7-39.1173.6-167.2-170.9132.600111F212 R213 I226 L228E209-F212 PolarHBondContact O-N 3.4Å; E209-R213 WeakPolarHBondContact O-CB 3.45Å; E209-R213 PolarHBondContact O-N 3.06Å; E209-R213 IonicContact OE1-CZ 2.72Å; E209-R213 IonicContact OE1-NH2 2.63Å; E209-R213 PolarHBondContact OE1-NH2 3.05Å; E209-I226 HydrophobicContact CG-CG2 4.19Å; E209-L228 HydrophobicContact CB-CB 4.49Å; E209-L228 HydrophobicContact CB-CD2 4.27Å; E209-L228 HydrophobicContact CG-CB 4.37Å
210D89.5Confident89Confident99 Ų9952.5 Ų52.553%0.52926%0.259SS..Hα-helixtrans-68.2-36.8-177.9-55.3-54.1000113.4T208 K214T208-D210 VanDerWaalsContact C-N 3.29Å; T208-D210 PolarHBondContact O-N 2.98Å; D210-K214 WeakPolarHBondContact O-CD 3.48Å; D210-K214 WeakPolarHBondContact O-CG 3.21Å; D210-K214 PolarHBondContact O-N 2.97Å
211E89.4Confident88.9Confident89 Ų8953.2 Ų53.242%0.41626%0.264SS..Hα-helixtrans-68.6-46.4173.9-71.9161.7140.300110.9T208 V215T208-E211 WeakPolarHBondContact CB-OE2 3.33Å; T208-E211 PolarHBondContact N-OE2 3.07Å; T208-E211 VanDerWaalsContact OG1-CD 3.24Å; T208-E211 VanDerWaalsContact OG1-CG 3.27Å; T208-E211 WeakPolarHBondContact OG1-CG 2.95Å; T208-E211 PolarHBondContact OG1-N 2.9Å; T208-E211 PolarHBondContact OG1-OE2 2.75Å; E211-V215 PolarHBondContact O-N 3.48Å
212F90.6Very high88.6Confident0 Ų054 Ų540%027%0.272CS..Hα-helixtrans-62.6-43.9176.7-177.2-114.8000111.3I200 I203 W207 T208 E209 K214 V215 I216 I226 A242 V244 L266I200-F212 HydrophobicContact CB-CZ 4.05Å; I200-F212 HydrophobicContact CD1-CZ 3.92Å; I200-F212 HydrophobicContact CG2-CE2 4.04Å; I200-F212 HydrophobicContact CG2-CZ 3.88Å; I203-F212 HydrophobicContact CD1-CD1 4.46Å; I203-F212 HydrophobicContact CD1-CD2 3.93Å; I203-F212 HydrophobicContact CD1-CE1 4.03Å; I203-F212 HydrophobicContact CD1-CE2 3.42Å; I203-F212 VanDerWaalsContact CD1-CE2 3.42Å; I203-F212 HydrophobicContact CD1-CG 4.43Å; I203-F212 HydrophobicContact CD1-CZ 3.47Å; I203-F212 VanDerWaalsContact CD1-CZ 3.47Å; I203-F212 HydrophobicContact CG1-CD2 4.39Å; I203-F212 HydrophobicContact CG1-CE2 3.89Å; I203-F212 HydrophobicContact CG1-CZ 4.35Å; I203-F212 HydrophobicContact CG2-CD2 4.11Å; I203-F212 HydrophobicContact CG2-CE2 4.45Å; W207-F212 HydrophobicContact CE3-CB 4.05Å; W207-F212 AromaticContact CE3-CD2 3.91Å; W207-F212 HydrophobicContact CE3-CD2 3.91Å; W207-F212 HydrophobicContact CE3-CG 4.48Å; W207-F212 HydrophobicContact CZ3-CD2 4.01Å; T208-F212 WeakPolarHBondContact O-CB 3.17Å; T208-F212 PolarHBondContact O-N 3.39Å; T208-F212 VanDerWaalsContact O-N 3.16Å; E209-F212 PolarHBondContact O-N 3.4Å; F212-K214 PolarHBondContact O-N 2.91Å; F212-V215 PolarHBondContact O-N 3.33Å; F212-I216 HydrophobicContact CD1-CG1 4.12Å; F212-I216 HydrophobicContact CD2-CD1 4.42Å; F212-I216 HydrophobicContact CD2-CG1 4.06Å; F212-I216 HydrophobicContact CE1-CD1 4.29Å; F212-I216 HydrophobicContact CE1-CG1 3.77Å; F212-I216 HydrophobicContact CE2-CD1 3.67Å; F212-I216 HydrophobicContact CE2-CG1 3.71Å; F212-I216 HydrophobicContact CG-CG1 4.26Å; F212-I216 HydrophobicContact CZ-CD1 3.59Å; F212-I216 HydrophobicContact CZ-CG1 3.55Å; F212-I216 VanDerWaalsContact O-CG1 3.27Å; F212-I216 WeakPolarHBondContact O-CG1 3.42Å; F212-I216 PolarHBondContact O-N 2.93Å; F212-I226 HydrophobicContact CD1-CG2 3.69Å; F212-I226 HydrophobicContact CE1-CG2 3.89Å; F212-A242 HydrophobicContact CD1-CB 4.1Å; F212-A242 HydrophobicContact CE1-CB 3.39Å; F212-A242 HydrophobicContact CZ-CB 3.85Å; F212-V244 HydrophobicContact CE1-CG2 3.92Å; F212-V244 HydrophobicContact CZ-CG2 4.3Å; F212-L266 HydrophobicContact CE2-CD1 4.26Å
213R91.4Very high88.7Confident64 Ų6451.5 Ų51.524%0.24226%0.26CS..Hα-helixtrans-52-54.8176.5176177.8-65.5-80.90.3112.4E209 V215 I216 E217 I226E209-R213 WeakPolarHBondContact O-CB 3.45Å; E209-R213 PolarHBondContact O-N 3.06Å; E209-R213 IonicContact OE1-CZ 2.72Å; E209-R213 IonicContact OE1-NH2 2.63Å; E209-R213 PolarHBondContact OE1-NH2 3.05Å; R213-V215 VanDerWaalsContact C-N 3.26Å; R213-V215 PolarHBondContact O-N 3Å; R213-I216 PolarHBondContact O-N 3.4Å; R213-I216 VanDerWaalsContact O-N 3.09Å; R213-E217 WeakPolarHBondContact CD-OE1 3.49Å; R213-E217 HydrophobicContact CG-CG 4.29Å; R213-E217 WeakPolarHBondContact CG-OE1 3.4Å; R213-E217 IonicContact NH1-OE1 3.76Å; R213-E217 PolarHBondContact NH1-OE1 3.35Å; R213-E217 WeakPolarHBondContact O-CB 3.3Å; R213-E217 WeakPolarHBondContact O-CG 3.4Å; R213-E217 PolarHBondContact O-N 2.85Å; R213-I226 HydrophobicContact CB-CD1 3.7Å; R213-I226 HydrophobicContact CG-CD1 3.82Å
214K90.3Very high88.6Confident145 Ų14555.1 Ų55.163%0.6328%0.277SS*.Hα-helixtrans-56.2-40.3179.8-73.1166.5-176.2170.60112.6D210 F212 D218D210-K214 WeakPolarHBondContact O-CD 3.48Å; D210-K214 WeakPolarHBondContact O-CG 3.21Å; D210-K214 PolarHBondContact O-N 2.97Å; F212-K214 PolarHBondContact O-N 2.91Å; K214-D218 WeakPolarHBondContact O-CB 3.45Å; K214-D218 PolarHBondContact O-N 3.35Å; K214-D218 VanDerWaalsContact O-N 3.1Å
215V90.1Very high88.6Confident43 Ų4359.2 Ų59.226%0.26130%0.298SS..Hα-helixtrans-71.7-35.9179.5173.40000111.7W207 E211 F212 R213 V219 F264 L266W207-V215 HydrophobicContact CH2-CB 4.29Å; W207-V215 HydrophobicContact CH2-CG1 4.22Å; W207-V215 HydrophobicContact CH2-CG2 3.8Å; W207-V215 HydrophobicContact CZ3-CB 4.17Å; W207-V215 HydrophobicContact CZ3-CG1 4.29Å; W207-V215 HydrophobicContact CZ3-CG2 4.05Å; E211-V215 PolarHBondContact O-N 3.48Å; F212-V215 PolarHBondContact O-N 3.33Å; R213-V215 VanDerWaalsContact C-N 3.26Å; R213-V215 PolarHBondContact O-N 3Å; V215-V219 VanDerWaalsContact O-CG2 3.3Å; V215-V219 WeakPolarHBondContact O-CG2 3.2Å; V215-V219 PolarHBondContact O-N 3.1Å; V215-F264 HydrophobicContact CG1-CE2 4.12Å; V215-F264 HydrophobicContact CG1-CZ 3.75Å; V215-L266 HydrophobicContact CG1-CD2 3.79Å
216I90.5Very high88.8Confident1 Ų154.1 Ų54.11%0.00528%0.276CS..Hα-helixtrans-73.7-39.5178.3-64.7-62.7000111.5I200 F212 R213 V219 G220 V223 V244 Y246 M259I200-I216 HydrophobicContact CD1-CD1 3.57Å; F212-I216 HydrophobicContact CD1-CG1 4.12Å; F212-I216 HydrophobicContact CD2-CD1 4.42Å; F212-I216 HydrophobicContact CD2-CG1 4.06Å; F212-I216 HydrophobicContact CE1-CD1 4.29Å; F212-I216 HydrophobicContact CE1-CG1 3.77Å; F212-I216 HydrophobicContact CE2-CD1 3.67Å; F212-I216 HydrophobicContact CE2-CG1 3.71Å; F212-I216 HydrophobicContact CG-CG1 4.26Å; F212-I216 HydrophobicContact CZ-CD1 3.59Å; F212-I216 HydrophobicContact CZ-CG1 3.55Å; F212-I216 VanDerWaalsContact O-CG1 3.27Å; F212-I216 WeakPolarHBondContact O-CG1 3.42Å; F212-I216 PolarHBondContact O-N 2.93Å; R213-I216 PolarHBondContact O-N 3.4Å; R213-I216 VanDerWaalsContact O-N 3.09Å; I216-V219 PolarHBondContact O-N 2.87Å; I216-G220 PolarHBondContact O-N 2.88Å; I216-V223 HydrophobicContact CG2-CG1 4.46Å; I216-V223 HydrophobicContact CG2-CG2 3.84Å; I216-V244 HydrophobicContact CG2-CG1 4Å; I216-V244 HydrophobicContact CG2-CG2 4.25Å; I216-Y246 WeakPolarHBondContact CG2-OH 3.5Å; I216-M259 HydrophobicContact CD1-CE 3.35Å; I216-M259 HydrophobicContact CD1-SD 3.7Å; I216-M259 HydrophobicContact CG1-CE 4.49Å; I216-M259 HydrophobicContact CG2-CE 4.17Å
217E89.8Confident89Confident90 Ų9052.7 Ų52.742%0.42127%0.267SS..Hα-helixtrans-68.8-31176.3-70.9168.6-178.200112.6R213 V223R213-E217 WeakPolarHBondContact CD-OE1 3.49Å; R213-E217 HydrophobicContact CG-CG 4.29Å; R213-E217 WeakPolarHBondContact CG-OE1 3.4Å; R213-E217 IonicContact NH1-OE1 3.76Å; R213-E217 PolarHBondContact NH1-OE1 3.35Å; R213-E217 WeakPolarHBondContact O-CB 3.3Å; R213-E217 WeakPolarHBondContact O-CG 3.4Å; R213-E217 PolarHBondContact O-N 2.85Å; E217-V223 HydrophobicContact CG-CB 4.23Å; E217-V223 HydrophobicContact CG-CG2 4.15Å
218D88.3Confident89.2Confident100 Ų10052.2 Ų52.254%0.53527%0.266SS..Hα-helixtrans-70.9-31.7173.4-172.467.5000112.6K214K214-D218 WeakPolarHBondContact O-CB 3.45Å; K214-D218 PolarHBondContact O-N 3.35Å; K214-D218 VanDerWaalsContact O-N 3.1Å
219V88.1Confident89.3Confident8 Ų851 Ų515%0.04826%0.256CS..Hα-helixtrans-69.2-41.8178.7167.70000112.6Y105 V215 I216 K258 M259 F264Y105-V219 PolarHBondContact OH-O 3.49Å; V215-V219 VanDerWaalsContact O-CG2 3.3Å; V215-V219 WeakPolarHBondContact O-CG2 3.2Å; V215-V219 PolarHBondContact O-N 3.1Å; I216-V219 PolarHBondContact O-N 2.87Å; V219-K258 HydrophobicContact CG1-CB 3.63Å; V219-K258 HydrophobicContact CG1-CD 4.06Å; V219-K258 HydrophobicContact CG1-CG 4.5Å; V219-K258 WeakPolarHBondContact O-CD 3.48Å; V219-K258 PolarHBondContact O-NZ 3.03Å; V219-M259 HydrophobicContact CB-CE 3.81Å; V219-M259 HydrophobicContact CG1-CE 3.56Å; V219-M259 HydrophobicContact CG1-CG 3.96Å; V219-M259 HydrophobicContact CG2-CE 4.17Å; V219-M259 HydrophobicContact CG2-CG 4.41Å; V219-F264 HydrophobicContact CG2-CD2 3.96Å; V219-F264 HydrophobicContact CG2-CE2 3.22Å; V219-F264 HydrophobicContact CG2-CZ 3.59Å
220G85.1Confident89.2Confident0 Ų053.5 Ų53.50%027%0.266CS..  trans-167.7155.8-173.200000114.4I216I216-G220 PolarHBondContact O-N 2.88Å
221P89.1Confident88.9Confident16 Ų1650.3 Ų50.310%0.10425%0.249CC..SBendtrans-76.7169.3-173.434.2-38.8000112.6Y105 L108 L109 C251Y105-P221 HydrophobicContact CD1-CG 3.82Å; Y105-P221 HydrophobicContact CD2-CB 4.27Å; Y105-P221 HydrophobicContact CD2-CG 4.3Å; Y105-P221 HydrophobicContact CE1-CG 4.47Å; Y105-P221 HydrophobicContact CG-CB 4.12Å; Y105-P221 HydrophobicContact CG-CG 3.74Å; L108-P221 HydrophobicContact CB-CG 4.49Å; L108-P221 HydrophobicContact CD1-CG 4.37Å; L109-P221 HydrophobicContact CD1-CB 3.98Å; L109-P221 HydrophobicContact CD2-CB 4.19Å; L109-P221 HydrophobicContact CG-CB 4.04Å; L109-P221 HydrophobicContact CG-CG 4.46Å; P221-C251 WeakPolarHBondContact O-CB 3.4Å
222G86.6Confident88.6Confident21 Ų2151.1 Ų51.122%0.21626%0.262CS..  trans76.728.1165.500000114.8E224 Y246 Y247G222-E224 PolarHBondContact O-N 3.39Å; G222-Y246 CarbonylContact O-C 3.6Å; G222-Y246 WeakPolarHBondContact O-CA 3.43Å; G222-Y247 PolarHBondContact O-N 3.22Å
223V91.8Very high88.1Confident28 Ų2856.3 Ų56.317%0.1729%0.294CS..EExtended strand (participates in β ladder)trans-73.1118.2172.5-177.10000109.6I216 E217 I226 V244 Y246I216-V223 HydrophobicContact CG2-CG1 4.46Å; I216-V223 HydrophobicContact CG2-CG2 3.84Å; E217-V223 HydrophobicContact CG-CB 4.23Å; E217-V223 HydrophobicContact CG-CG2 4.15Å; V223-I226 HydrophobicContact CG1-CD1 3.89Å; V223-I226 HydrophobicContact CG1-CG1 3.72Å; V223-V244 HydrophobicContact CG1-CG1 3.82Å; V223-Y246 HydrophobicContact CG2-CD1 4.18Å; V223-Y246 HydrophobicContact CG2-CE1 3.62Å
224E87.6Confident87.5Confident80 Ų8056.8 Ų56.837%0.37430%0.301SS..EExtended strand (participates in β ladder)trans-97.2-43.9179.8-71.7-177.3154.700112.6H114 G222 L245 Y247H114-E224 IonicContact CE1-OE1 3.91Å; H114-E224 PolarHBondContact CE1-OE1 2.83Å; H114-E224 IonicContact CE1-OE2 3.27Å; H114-E224 PolarHBondContact CE1-OE2 3.31Å; H114-E224 IonicContact ND1-OE1 2.68Å; H114-E224 PolarHBondContact ND1-OE1 2.64Å; H114-E224 IonicContact ND1-OE2 3.39Å; H114-E224 PolarHBondContact ND1-OE2 2.87Å; H114-E224 VanDerWaalsContact ND1-OE2 3.09Å; G222-E224 PolarHBondContact O-N 3.39Å; E224-L245 HydrophobicContact CB-CD2 4.45Å; E224-L245 PolarHBondContact N-O 2.95Å; E224-Y247 WeakPolarHBondContact OE1-CA 3.46Å
225N89Confident86.9Confident92 Ų9255.1 Ų55.149%0.49230%0.304SS..EExtended strand (participates in β ladder)trans-148.3139.7-174.3-167.7-9.3000111.1V244 L245N225-V244 WeakPolarHBondContact O-CA 3.34Å; N225-L245 HydrophobicContact CB-CB 3.96Å; N225-L245 HydrophobicContact CB-CD2 4.32Å; N225-L245 PolarHBondContact N-O 2.83Å; N225-L245 PolarHBondContact O-N 2.87Å
226I90.4Very high86.3Confident4 Ų458.8 Ų58.82%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-125.4117.1179.9-59.7-177.7000108.2E209 F212 R213 V223 V244E209-I226 HydrophobicContact CG-CG2 4.19Å; F212-I226 HydrophobicContact CD1-CG2 3.69Å; F212-I226 HydrophobicContact CE1-CG2 3.89Å; R213-I226 HydrophobicContact CB-CD1 3.7Å; R213-I226 HydrophobicContact CG-CD1 3.82Å; V223-I226 HydrophobicContact CG1-CD1 3.89Å; V223-I226 HydrophobicContact CG1-CG1 3.72Å; I226-V244 HydrophobicContact CG1-CG1 4.34Å; I226-V244 HydrophobicContact CG1-CG2 4.41Å
227E89.7Confident85.9Confident69 Ų6965.7 Ų65.732%0.32235%0.352SS..EExtended strand (participates in β ladder)trans-110.682.6179.6-164.2-166.1147.500109.4R197 I229 A242 F243 K279R197-E227 IonicContact CZ-OE2 3.91Å; R197-E227 IonicContact NH2-OE2 2.72Å; R197-E227 PolarHBondContact NH2-OE2 2.91Å; E227-I229 HydrophobicContact CG-CD1 3.91Å; E227-I229 PolarHBondContact O-N 3.42Å; E227-I229 VanDerWaalsContact OE1-CD1 3.26Å; E227-I229 WeakPolarHBondContact OE1-CD1 3.3Å; E227-A242 VanDerWaalsContact O-CA 3.3Å; E227-A242 WeakPolarHBondContact O-CA 3.37Å; E227-F243 HydrophobicContact CB-CB 4.31Å; E227-F243 PolarHBondContact N-O 2.9Å; E227-F243 PolarHBondContact O-N 3.43Å; E227-K279 IonicContact OE1-NZ 3.61Å; E227-K279 PolarHBondContact OE1-NZ 2.92Å; E227-K279 IonicContact OE2-NZ 4Å; E227-K279 PolarHBondContact OE2-NZ 2.87Å
228L90.3Very high85.8Confident15 Ų1561.6 Ų61.68%0.07933%0.333CS..EExtended strand (participates in β ladder)trans-77.5107.9175.9-17964.2000110.1I203 E209 K230 N238 A242I203-L228 HydrophobicContact CD1-CD1 3.97Å; I203-L228 HydrophobicContact CG2-CD1 4.46Å; E209-L228 HydrophobicContact CB-CB 4.49Å; E209-L228 HydrophobicContact CB-CD2 4.27Å; E209-L228 HydrophobicContact CG-CB 4.37Å; L228-K230 PolarHBondContact O-N 2.75Å; L228-N238 HydrophobicContact CD1-CB 3.79Å; L228-N238 HydrophobicContact CD2-CB 4.02Å; L228-N238 HydrophobicContact CG-CB 3.86Å; L228-A242 HydrophobicContact CB-CB 4.34Å; L228-A242 HydrophobicContact CD1-CB 3.87Å
229I89.4Confident85.8Confident39 Ų3963.2 Ų63.220%0.233%0.332CS..EExtended strand (participates in β ladder)trans-73.4121.7-175.6-55.8-54.7000109.9E227 R239 F241 F243E227-I229 HydrophobicContact CG-CD1 3.91Å; E227-I229 PolarHBondContact O-N 3.42Å; E227-I229 VanDerWaalsContact OE1-CD1 3.26Å; E227-I229 WeakPolarHBondContact OE1-CD1 3.3Å; I229-R239 HydrophobicContact CB-CB 4.42Å; I229-R239 HydrophobicContact CG2-CB 4.13Å; I229-R239 VanDerWaalsContact O-CB 3.3Å; I229-R239 WeakPolarHBondContact O-CB 3.29Å; I229-R239 PolarHBondContact O-N 2.97Å; I229-F241 HydrophobicContact CB-CD2 4.29Å; I229-F241 HydrophobicContact CB-CE2 3.89Å; I229-F241 HydrophobicContact CB-CZ 4.07Å; I229-F241 HydrophobicContact CG1-CD2 3.94Å; I229-F241 HydrophobicContact CG1-CE2 3.45Å; I229-F241 VanDerWaalsContact CG1-CE2 3.45Å; I229-F241 HydrophobicContact CG1-CZ 4.04Å; I229-F241 HydrophobicContact CG2-CE2 4.32Å; I229-F241 HydrophobicContact CG2-CZ 4.04Å; I229-F241 PolarHBondContact N-O 3.47Å; I229-F243 HydrophobicContact CD1-CD2 4.42Å; I229-F243 HydrophobicContact CD1-CE2 4.45Å; I229-F243 HydrophobicContact CG1-CD2 4.36Å; I229-F243 HydrophobicContact CG1-CE2 4.24Å
230K86.8Confident85.9Confident121 Ų12163.4 Ų63.453%0.52634%0.335SS..EExtended strand (participates in β ladder)trans-80.9151.6176.6-64.3178.6-176.4175.50111.6L228L228-K230 PolarHBondContact O-N 2.75Å
231D83.4Confident86.2Confident31 Ų3165.5 Ų65.517%0.16634%0.344CS..EExtended strand (participates in β ladder)trans-70.9123.5177-169.8-48.5000109.2T233 N234 T235 R237D231-T233 PolarHBondContact O-N 3.09Å; D231-T233 VanDerWaalsContact O-N 3.13Å; D231-T233 WeakPolarHBondContact OD1-CB 3.2Å; D231-T233 PolarHBondContact OD1-N 2.88Å; D231-T233 PolarHBondContact OD1-OG1 3.03Å; D231-N234 HydrophobicContact CB-CB 4.4Å; D231-N234 CarbonylContact O-C 3.2Å; D231-N234 PolarHBondContact O-N 3.23Å; D231-N234 VanDerWaalsContact O-N 3.07Å; D231-T235 PolarHBondContact O-N 3.2Å; D231-R237 PolarHBondContact N-O 2.57Å
232P81.6Confident86.3Confident107 Ų10764.8 Ų64.870%0.69534%0.339SS*.THydrogen-bonded Turntrans-63.7-19.7-177.627.1-35.9000113.3
233T81.2Confident86.6Confident109 Ų10965.2 Ų65.267%0.66934%0.335SS*.THydrogen-bonded Turntrans-89.7-24.5176.168.30000112.9D231D231-T233 PolarHBondContact O-N 3.09Å; D231-T233 VanDerWaalsContact O-N 3.13Å; D231-T233 WeakPolarHBondContact OD1-CB 3.2Å; D231-T233 PolarHBondContact OD1-N 2.88Å; D231-T233 PolarHBondContact OD1-OG1 3.03Å
234N78.6Confident86.6Confident73 Ų7363.9 Ų63.939%0.3933%0.327SS..EExtended strand (participates in β ladder)trans-143.285-173.2-76.1-85.9000109.6D231 T236 R237D231-N234 HydrophobicContact CB-CB 4.4Å; D231-N234 CarbonylContact O-C 3.2Å; D231-N234 PolarHBondContact O-N 3.23Å; D231-N234 VanDerWaalsContact O-N 3.07Å; N234-T236 PolarHBondContact O-N 3.37Å; N234-R237 HydrophobicContact CB-CB 4.45Å; N234-R237 PolarHBondContact O-N 3.4Å; N234-R237 VanDerWaalsContact O-O 3.12Å
235T78.2Confident86.7Confident111 Ų11162.1 Ų62.168%0.68132%0.32SS*.EExtended strand (participates in β ladder)trans-57-18.5-179.9-166.40000114.4D231 R237D231-T235 PolarHBondContact O-N 3.2Å; T235-R237 VanDerWaalsContact C-N 3.29Å; T235-R237 PolarHBondContact O-N 2.98Å
236T77.5Confident86.8Confident120 Ų12057.8 Ų57.874%0.73630%0.297SS*.EExtended strand (participates in β ladder)trans-77-7.5173.753.40000114.4N234N234-T236 PolarHBondContact O-N 3.37Å
237R81.7Confident86.7Confident146 Ų14661.1 Ų61.155%0.55131%0.31SS*.EExtended strand (participates in β ladder)trans-124.4145178.5-70.1-178.2174.5168.8-1110.3K205 D231 N234 T235K205-R237 WeakPolarHBondContact O-CA 3.32Å; D231-R237 PolarHBondContact N-O 2.57Å; N234-R237 HydrophobicContact CB-CB 4.45Å; N234-R237 PolarHBondContact O-N 3.4Å; N234-R237 VanDerWaalsContact O-O 3.12Å; T235-R237 VanDerWaalsContact C-N 3.29Å; T235-R237 PolarHBondContact O-N 2.98Å
238N87.3Confident86.5Confident4 Ų458.1 Ų58.12%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-76158.1166.774.952.5000110.7P204 K205 W207 L228 G240P204-N238 PolarHBondContact O-ND2 3.12Å; K205-N238 WeakPolarHBondContact CA-OD1 3.21Å; K205-N238 PolarHBondContact O-N 3.34Å; W207-N238 PolarHBondContact O-ND2 2.9Å; L228-N238 HydrophobicContact CD1-CB 3.79Å; L228-N238 HydrophobicContact CD2-CB 4.02Å; L228-N238 HydrophobicContact CG-CB 3.86Å; N238-G240 PolarHBondContact O-N 3.45Å; N238-G240 VanDerWaalsContact OD1-CA 3.26Å; N238-G240 WeakPolarHBondContact OD1-CA 2.85Å; N238-G240 PolarHBondContact OD1-N 3.04Å
239R88.7Confident86.3Confident134 Ų13458.1 Ų58.151%0.50630%0.296SS..EExtended strand (participates in β ladder)trans-75.8-3.6179.4-167.6169.2168.2157-4.2112.5I229 F241I229-R239 HydrophobicContact CB-CB 4.42Å; I229-R239 HydrophobicContact CG2-CB 4.13Å; I229-R239 VanDerWaalsContact O-CB 3.3Å; I229-R239 WeakPolarHBondContact O-CB 3.29Å; I229-R239 PolarHBondContact O-N 2.97Å; R239-F241 HydrophobicContact CB-CD1 4.26Å; R239-F241 HydrophobicContact CB-CE1 4.07Å; R239-F241 VanDerWaalsContact CD-CE1 3.49Å; R239-F241 HydrophobicContact CG-CD1 4.12Å; R239-F241 HydrophobicContact CG-CE1 3.63Å
240G88.9Confident86.2Confident11 Ų1157.5 Ų57.511%0.11330%0.297CS..EExtended strand (participates in β ladder)trans90.513-176.900000114.5G201 N202 I203 N238G201-G240 CarbonylContact C-O 3.56Å; N202-G240 PolarHBondContact N-O 2.71Å; I203-G240 PolarHBondContact N-O 3.11Å; I203-G240 WeakPolarHBondContact O-CA 3.19Å; N238-G240 PolarHBondContact O-N 3.45Å; N238-G240 VanDerWaalsContact OD1-CA 3.26Å; N238-G240 WeakPolarHBondContact OD1-CA 2.85Å; N238-G240 PolarHBondContact OD1-N 3.04Å
241F92.1Very high86.4Confident45 Ų4551.8 Ų51.820%0.19727%0.272CS..EExtended strand (participates in β ladder)trans-152.1155.7173.769.5-91.9000113.1F199 I200 I229 R239 F243F199-F241 HydrophobicContact CD2-CD2 4.14Å; F199-F241 HydrophobicContact CE2-CB 3.68Å; F199-F241 AromaticContact CE2-CD2 3.47Å; F199-F241 HydrophobicContact CE2-CD2 3.47Å; F199-F241 VanDerWaalsContact CE2-CD2 3.47Å; F199-F241 HydrophobicContact CE2-CE2 4.17Å; F199-F241 AromaticContact CE2-CG 3.68Å; F199-F241 HydrophobicContact CE2-CG 3.68Å; F199-F241 HydrophobicContact CZ-CB 3.78Å; F199-F241 HydrophobicContact CZ-CD2 4.36Å; F199-F241 HydrophobicContact CZ-CG 4.12Å; I200-F241 CarbonylContact O-C 3.45Å; I200-F241 WeakPolarHBondContact O-CA 3.23Å; I200-F241 WeakPolarHBondContact O-CB 3.41Å; I229-F241 HydrophobicContact CB-CD2 4.29Å; I229-F241 HydrophobicContact CB-CE2 3.89Å; I229-F241 HydrophobicContact CB-CZ 4.07Å; I229-F241 HydrophobicContact CG1-CD2 3.94Å; I229-F241 HydrophobicContact CG1-CE2 3.45Å; I229-F241 VanDerWaalsContact CG1-CE2 3.45Å; I229-F241 HydrophobicContact CG1-CZ 4.04Å; I229-F241 HydrophobicContact CG2-CE2 4.32Å; I229-F241 HydrophobicContact CG2-CZ 4.04Å; I229-F241 PolarHBondContact N-O 3.47Å; R239-F241 HydrophobicContact CB-CD1 4.26Å; R239-F241 HydrophobicContact CB-CE1 4.07Å; R239-F241 VanDerWaalsContact CD-CE1 3.49Å; R239-F241 HydrophobicContact CG-CD1 4.12Å; R239-F241 HydrophobicContact CG-CE1 3.63Å; F241-F243 HydrophobicContact CD2-CE2 4.31Å; F241-F243 AromaticContact CE2-CE2 3.91Å; F241-F243 HydrophobicContact CE2-CE2 3.91Å; F241-F243 HydrophobicContact CE2-CZ 4.3Å
242A92.3Very high86.8Confident0 Ų050.3 Ų50.30%026%0.264CS..EExtended strand (participates in β ladder)trans-134.6164.1175.300000110.5I200 I203 F212 E227 L228I200-A242 PolarHBondContact N-O 3.02Å; I200-A242 PolarHBondContact O-N 2.83Å; I203-A242 HydrophobicContact CD1-CB 3.47Å; I203-A242 VanDerWaalsContact CD1-CB 3.47Å; F212-A242 HydrophobicContact CD1-CB 4.1Å; F212-A242 HydrophobicContact CE1-CB 3.39Å; F212-A242 HydrophobicContact CZ-CB 3.85Å; E227-A242 VanDerWaalsContact O-CA 3.3Å; E227-A242 WeakPolarHBondContact O-CA 3.37Å; L228-A242 HydrophobicContact CB-CB 4.34Å; L228-A242 HydrophobicContact CD1-CB 3.87Å
243F92.4Very high87.2Confident31 Ų3146.7 Ų46.714%0.13624%0.239CC..EExtended strand (participates in β ladder)trans-111.8140.7161-59.6-85.9000109.8R197 L198 F199 E227 I229 F241 A276R197-F243 VanDerWaalsContact NH2-CG 3.26Å; L198-F243 CarbonylContact O-C 3.53Å; L198-F243 VanDerWaalsContact O-CA 3.25Å; L198-F243 WeakPolarHBondContact O-CA 3.19Å; F199-F243 HydrophobicContact CB-CD1 4.22Å; F199-F243 HydrophobicContact CB-CE1 4.19Å; F199-F243 HydrophobicContact CD2-CD1 4.26Å; F199-F243 AromaticContact CD2-CE1 3.77Å; F199-F243 HydrophobicContact CD2-CE1 3.77Å; F199-F243 HydrophobicContact CD2-CZ 4.12Å; F199-F243 HydrophobicContact CG-CE1 4.48Å; E227-F243 HydrophobicContact CB-CB 4.31Å; E227-F243 PolarHBondContact N-O 2.9Å; E227-F243 PolarHBondContact O-N 3.43Å; I229-F243 HydrophobicContact CD1-CD2 4.42Å; I229-F243 HydrophobicContact CD1-CE2 4.45Å; I229-F243 HydrophobicContact CG1-CD2 4.36Å; I229-F243 HydrophobicContact CG1-CE2 4.24Å; F241-F243 HydrophobicContact CD2-CE2 4.31Å; F241-F243 AromaticContact CE2-CE2 3.91Å; F241-F243 HydrophobicContact CE2-CE2 3.91Å; F241-F243 HydrophobicContact CE2-CZ 4.3Å; F243-A276 HydrophobicContact CD1-CB 3.77Å; F243-A276 HydrophobicContact CE1-CB 4.07Å
244V92.2Very high87.6Confident0 Ų043.3 Ų43.30%021%0.214CC..EExtended strand (participates in β ladder)trans-122.5125.4175.5-176.70000108.7R197 L198 I200 F212 I216 V223 N225 I226 Y246R197-V244 CarbonylContact C-O 3.54Å; R197-V244 WeakPolarHBondContact CA-O 3.18Å; L198-V244 PolarHBondContact N-O 3.27Å; L198-V244 PolarHBondContact O-N 3.22Å; I200-V244 HydrophobicContact CD1-CB 4.43Å; I200-V244 HydrophobicContact CD1-CG2 3.76Å; F212-V244 HydrophobicContact CE1-CG2 3.92Å; F212-V244 HydrophobicContact CZ-CG2 4.3Å; I216-V244 HydrophobicContact CG2-CG1 4Å; I216-V244 HydrophobicContact CG2-CG2 4.25Å; V223-V244 HydrophobicContact CG1-CG1 3.82Å; N225-V244 WeakPolarHBondContact O-CA 3.34Å; I226-V244 HydrophobicContact CG1-CG1 4.34Å; I226-V244 HydrophobicContact CG1-CG2 4.41Å; V244-Y246 HydrophobicContact CB-CE2 3.87Å; V244-Y246 HydrophobicContact CG1-CD2 3.94Å; V244-Y246 HydrophobicContact CG1-CE2 3.36Å
245L90Very high88.2Confident43 Ų4339.9 Ų39.923%0.22520%0.196CC..EExtended strand (participates in β ladder)trans-95130.4171.9-166.772.8000108.7N196 R197 E224 N225N196-L245 WeakPolarHBondContact ND2-CD1 3.27Å; R197-L245 HydrophobicContact CB-CD1 4.06Å; R197-L245 HydrophobicContact CG-CD1 4.3Å; E224-L245 HydrophobicContact CB-CD2 4.45Å; E224-L245 PolarHBondContact N-O 2.95Å; N225-L245 HydrophobicContact CB-CB 3.96Å; N225-L245 HydrophobicContact CB-CD2 4.32Å; N225-L245 PolarHBondContact N-O 2.83Å; N225-L245 PolarHBondContact O-N 2.87Å
246Y90.5Very high88.9Confident0 Ų037.7 Ų37.70%018%0.175CC..EExtended strand (participates in β ladder)trans-110.3156.6174.7-69.9-96.8000111.6N196 L198 I216 G222 V223 V244 N248 C251 A252 S255N196-Y246 WeakPolarHBondContact CB-O 3.15Å; N196-Y246 PolarHBondContact ND2-O 2.99Å; N196-Y246 PolarHBondContact O-N 3.36Å; L198-Y246 HydrophobicContact CB-CE2 4.49Å; L198-Y246 HydrophobicContact CD1-CD2 4.42Å; L198-Y246 HydrophobicContact CD1-CE2 3.62Å; L198-Y246 HydrophobicContact CG-CD2 4.31Å; L198-Y246 HydrophobicContact CG-CE2 3.9Å; I216-Y246 WeakPolarHBondContact CG2-OH 3.5Å; G222-Y246 CarbonylContact O-C 3.6Å; G222-Y246 WeakPolarHBondContact O-CA 3.43Å; V223-Y246 HydrophobicContact CG2-CD1 4.18Å; V223-Y246 HydrophobicContact CG2-CE1 3.62Å; V244-Y246 HydrophobicContact CB-CE2 3.87Å; V244-Y246 HydrophobicContact CG1-CD2 3.94Å; V244-Y246 HydrophobicContact CG1-CE2 3.36Å; Y246-N248 PolarHBondContact O-N 3.39Å; Y246-C251 HydrophobicContact CD1-CB 3.96Å; Y246-C251 HydrophobicContact CG-CB 4.43Å; Y246-A252 HydrophobicContact CD2-CB 3.71Å; Y246-A252 HydrophobicContact CE2-CB 4.49Å; Y246-A252 HydrophobicContact CG-CB 3.92Å; Y246-S255 WeakPolarHBondContact CE1-OG 3.4Å; Y246-S255 VanDerWaalsContact CZ-CB 3.5Å; Y246-S255 WeakPolarHBondContact OH-CB 3.32Å; Y246-S255 PolarHBondContact OH-OG 2.92Å
247Y87.2Confident89.6Confident75 Ų7537.6 Ų37.629%0.29417%0.166SC..SBendtrans-51.6-39.4176.7179.5-107.6000112.8L109 P113 H114 G222 E224L109-Y247 HydrophobicContact CD2-CD1 4.43Å; P113-Y247 CarbonylContact C-O 3.56Å; P113-Y247 HydrophobicContact CB-CD2 4.46Å; P113-Y247 HydrophobicContact CB-CE1 4.38Å; P113-Y247 HydrophobicContact CB-CE2 3.76Å; H114-Y247 VanDerWaalsContact CB-O 3.32Å; H114-Y247 WeakPolarHBondContact CB-O 3.41Å; H114-Y247 PolarHBondContact N-O 3.09Å; H114-Y247 PolarHBondContact ND1-O 3.2Å; G222-Y247 PolarHBondContact O-N 3.22Å; E224-Y247 WeakPolarHBondContact OE1-CA 3.46Å
248N86Confident89.9Confident5 Ų533.8 Ų33.83%0.02715%0.154CC..SBendtrans-151.917117660.932.1000111.8L108 L111 P112 Y246 A250 C251 A252L108-N248 PolarHBondContact O-ND2 3.45Å; L111-N248 PolarHBondContact O-ND2 3.26Å; P112-N248 VanDerWaalsContact O-CB 3.23Å; P112-N248 WeakPolarHBondContact O-CB 3.18Å; Y246-N248 PolarHBondContact O-N 3.39Å; N248-A250 VanDerWaalsContact C-N 3.27Å; N248-A250 PolarHBondContact O-N 3.27Å; N248-A250 PolarHBondContact OD1-N 3.2Å; N248-C251 WeakPolarHBondContact OD1-CB 3.39Å; N248-C251 PolarHBondContact OD1-N 3.34Å; N248-C251 PolarHBondContact OD1-SG 3Å; N248-A252 PolarHBondContact O-N 3.08Å
249N87.1Confident90Very high15 Ų1533.7 Ų33.78%0.0815%0.153CC..Hα-helixtrans-60.4-35.5178.7171.2-114.7000112.7E117 R146 S195 A252 D253 W275E117-N249 WeakPolarHBondContact OE2-CB 3.19Å; R146-N249 VanDerWaalsContact CZ-OD1 3.27Å; R146-N249 PolarHBondContact NH1-OD1 3.02Å; R146-N249 PolarHBondContact NH2-OD1 3.23Å; S195-N249 WeakPolarHBondContact CB-ND2 3.27Å; S195-N249 PolarHBondContact O-ND2 2.82Å; N249-A252 CarbonylContact O-C 3.53Å; N249-A252 WeakPolarHBondContact O-CB 3.24Å; N249-A252 PolarHBondContact O-N 3.46Å; N249-D253 PolarHBondContact O-N 2.87Å; N249-W275 VanDerWaalsContact ND2-CH2 3.29Å; N249-W275 WeakPolarHBondContact ND2-CH2 3.3Å
250A87.1Confident90Very high27 Ų2731.4 Ų31.422%0.22315%0.15CC..Hα-helixtrans-68.3-44-176.200000112.3L108 L111 N248 A252 D253 Y254L108-A250 HydrophobicContact CD2-CB 3.61Å; L111-A250 HydrophobicContact CD1-CB 3.28Å; N248-A250 VanDerWaalsContact C-N 3.27Å; N248-A250 PolarHBondContact O-N 3.27Å; N248-A250 PolarHBondContact OD1-N 3.2Å; A250-A252 VanDerWaalsContact C-N 3.28Å; A250-A252 PolarHBondContact O-N 3.18Å; A250-D253 PolarHBondContact O-N 3.17Å; A250-Y254 VanDerWaalsContact O-CB 3.28Å; A250-Y254 WeakPolarHBondContact O-CB 3.45Å; A250-Y254 PolarHBondContact O-N 3.2Å
251C90.5Very high89.9Confident0 Ų034.7 Ų34.70%017%0.165CC..Hα-helixtrans-59.9-40.5171.3-67.70000111.3P221 Y246 N248 S255P221-C251 WeakPolarHBondContact O-CB 3.4Å; Y246-C251 HydrophobicContact CD1-CB 3.96Å; Y246-C251 HydrophobicContact CG-CB 4.43Å; N248-C251 WeakPolarHBondContact OD1-CB 3.39Å; N248-C251 PolarHBondContact OD1-N 3.34Å; N248-C251 PolarHBondContact OD1-SG 3Å; C251-S255 VanDerWaalsContact O-CB 3.29Å; C251-S255 WeakPolarHBondContact O-CB 3.11Å; C251-S255 PolarHBondContact O-N 3.05Å; C251-S255 PolarHBondContact O-OG 2.83Å
252A91.3Very high89.3Confident0 Ų037.2 Ų37.20%019%0.188CC..Hα-helixtrans-65.3-45.8176.500000112.3L198 Y246 N248 N249 A250 S255 R256 W275L198-A252 HydrophobicContact CD2-CB 4.42Å; L198-A252 HydrophobicContact CG-CB 4.4Å; Y246-A252 HydrophobicContact CD2-CB 3.71Å; Y246-A252 HydrophobicContact CE2-CB 4.49Å; Y246-A252 HydrophobicContact CG-CB 3.92Å; N248-A252 PolarHBondContact O-N 3.08Å; N249-A252 CarbonylContact O-C 3.53Å; N249-A252 WeakPolarHBondContact O-CB 3.24Å; N249-A252 PolarHBondContact O-N 3.46Å; A250-A252 VanDerWaalsContact C-N 3.28Å; A250-A252 PolarHBondContact O-N 3.18Å; A252-S255 PolarHBondContact O-N 2.82Å; A252-R256 WeakPolarHBondContact O-CB 3Å; A252-R256 PolarHBondContact O-N 3.37Å; A252-W275 HydrophobicContact CB-CH2 3.96Å; A252-W275 HydrophobicContact CB-CZ3 3.67Å
253D90.3Very high88.8Confident32 Ų3243.8 Ų43.817%0.17122%0.224CC..Hα-helixtrans-72.7-37.1-178.6-163.154.9000111.8N249 A250 S255 R256 Q257 W275N249-D253 PolarHBondContact O-N 2.87Å; A250-D253 PolarHBondContact O-N 3.17Å; D253-S255 PolarHBondContact O-N 3.36Å; D253-R256 WeakPolarHBondContact O-CB 3.25Å; D253-R256 PolarHBondContact O-N 3.13Å; D253-R256 IonicContact OD1-CZ 3.02Å; D253-R256 IonicContact OD1-NH1 3.16Å; D253-R256 PolarHBondContact OD1-NH1 3.19Å; D253-Q257 WeakPolarHBondContact O-CB 3.15Å; D253-Q257 VanDerWaalsContact O-CG 3.24Å; D253-Q257 WeakPolarHBondContact O-CG 3.34Å; D253-Q257 PolarHBondContact O-N 2.95Å; D253-Q257 PolarHBondContact OD2-NE2 3.24Å; D253-W275 HydrophobicContact CB-CH2 3.78Å; D253-W275 HydrophobicContact CB-CZ2 3.89Å; D253-W275 VanDerWaalsContact OD1-CZ2 3.29Å; D253-W275 WeakPolarHBondContact OD1-CZ2 3.27Å
254Y90.3Very high88.4Confident38 Ų3844.3 Ų44.315%0.14923%0.226CC..Hα-helixtrans-56.7-50.1171.3180-90.4000111.3D101 Y105 L108 A250 R256 Q257 K258D101-Y254 VanDerWaalsContact CG-OH 3.26Å; D101-Y254 PolarHBondContact OD1-OH 2.67Å; D101-Y254 PolarHBondContact OD2-OH 3.07Å; Y105-Y254 HydrophobicContact CD1-CE1 4.31Å; Y105-Y254 HydrophobicContact CE1-CD1 4.48Å; Y105-Y254 AromaticContact CE1-CE1 3.53Å; Y105-Y254 HydrophobicContact CE1-CE1 3.53Å; Y105-Y254 AromaticContact CE1-CZ 3.69Å; Y105-Y254 WeakPolarHBondContact CE1-OH 3.37Å; L108-Y254 HydrophobicContact CD1-CD1 4.08Å; L108-Y254 HydrophobicContact CD1-CD2 3.73Å; L108-Y254 HydrophobicContact CD1-CE2 4.36Å; L108-Y254 HydrophobicContact CD1-CG 3.57Å; A250-Y254 VanDerWaalsContact O-CB 3.28Å; A250-Y254 WeakPolarHBondContact O-CB 3.45Å; A250-Y254 PolarHBondContact O-N 3.2Å; Y254-R256 PolarHBondContact O-N 3.25Å; Y254-Q257 PolarHBondContact O-N 3.23Å; Y254-K258 HydrophobicContact CD1-CD 4.49Å; Y254-K258 HydrophobicContact CE1-CD 3.66Å; Y254-K258 HydrophobicContact CE1-CG 4.41Å; Y254-K258 PolarHBondContact O-N 2.85Å; Y254-K258 WeakPolarHBondContact OH-CE 3.48Å; Y254-K258 PolarHBondContact OH-NZ 3.43Å
255S91.8Very high88Confident0 Ų050.1 Ų50.10%025%0.251CS..Hα-helixtrans-64-41.1178.4-57.80000111.6Y246 C251 A252 D253 K258 M259Y246-S255 WeakPolarHBondContact CE1-OG 3.4Å; Y246-S255 VanDerWaalsContact CZ-CB 3.5Å; Y246-S255 WeakPolarHBondContact OH-CB 3.32Å; Y246-S255 PolarHBondContact OH-OG 2.92Å; C251-S255 VanDerWaalsContact O-CB 3.29Å; C251-S255 WeakPolarHBondContact O-CB 3.11Å; C251-S255 PolarHBondContact O-N 3.05Å; C251-S255 PolarHBondContact O-OG 2.83Å; A252-S255 PolarHBondContact O-N 2.82Å; D253-S255 PolarHBondContact O-N 3.36Å; S255-K258 PolarHBondContact O-N 3.16Å; S255-M259 WeakPolarHBondContact O-CB 3.01Å; S255-M259 WeakPolarHBondContact O-CG 3.48Å; S255-M259 PolarHBondContact O-N 3.4Å
256R92.3Very high87.7Confident66 Ų6648.1 Ų48.125%0.24924%0.241CC..Hα-helixtrans-60.5-44.1173.3172.2178.2167.4-84.5-14.2112.3L198 A252 D253 Y254 M259 I260 V273L198-R256 HydrophobicContact CD1-CB 3.91Å; L198-R256 HydrophobicContact CD2-CB 3.88Å; L198-R256 HydrophobicContact CD2-CG 4.35Å; A252-R256 WeakPolarHBondContact O-CB 3Å; A252-R256 PolarHBondContact O-N 3.37Å; D253-R256 WeakPolarHBondContact O-CB 3.25Å; D253-R256 PolarHBondContact O-N 3.13Å; D253-R256 IonicContact OD1-CZ 3.02Å; D253-R256 IonicContact OD1-NH1 3.16Å; D253-R256 PolarHBondContact OD1-NH1 3.19Å; Y254-R256 PolarHBondContact O-N 3.25Å; R256-M259 PolarHBondContact O-N 3.4Å; R256-I260 HydrophobicContact CG-CD1 3.6Å; R256-I260 HydrophobicContact CG-CG1 4.42Å; R256-I260 WeakPolarHBondContact O-CB 3.48Å; R256-I260 WeakPolarHBondContact O-CG1 3.39Å; R256-I260 PolarHBondContact O-N 3.35Å; R256-V273 HydrophobicContact CB-CG1 4.16Å; R256-V273 HydrophobicContact CG-CG1 3.99Å
257Q91Very high87.1Confident118 Ų11853.9 Ų53.955%0.55127%0.268SS*.Hα-helixtrans-62.7-47.9177.6-73.5178.934.300110.9D253 Y254 M259 I260 D261D253-Q257 WeakPolarHBondContact O-CB 3.15Å; D253-Q257 VanDerWaalsContact O-CG 3.24Å; D253-Q257 WeakPolarHBondContact O-CG 3.34Å; D253-Q257 PolarHBondContact O-N 2.95Å; D253-Q257 PolarHBondContact OD2-NE2 3.24Å; Y254-Q257 PolarHBondContact O-N 3.23Å; Q257-M259 PolarHBondContact O-N 2.94Å; Q257-I260 PolarHBondContact O-N 3.32Å; Q257-D261 PolarHBondContact O-N 3.09Å
258K88.8Confident86.7Confident66 Ų6652.9 Ų52.929%0.28728%0.28SS..Hα-helixtrans-61-39.2175.4-91.5-173.9166.9175.40113D101 Y105 V219 Y254 S255 D261 F264D101-K258 IonicContact OD2-NZ 3.27Å; D101-K258 PolarHBondContact OD2-NZ 3.47Å; Y105-K258 PolarHBondContact OH-NZ 3.18Å; Y105-K258 VanDerWaalsContact OH-NZ 3.14Å; V219-K258 HydrophobicContact CG1-CB 3.63Å; V219-K258 HydrophobicContact CG1-CD 4.06Å; V219-K258 HydrophobicContact CG1-CG 4.5Å; V219-K258 WeakPolarHBondContact O-CD 3.48Å; V219-K258 PolarHBondContact O-NZ 3.03Å; Y254-K258 HydrophobicContact CD1-CD 4.49Å; Y254-K258 HydrophobicContact CE1-CD 3.66Å; Y254-K258 HydrophobicContact CE1-CG 4.41Å; Y254-K258 PolarHBondContact O-N 2.85Å; Y254-K258 WeakPolarHBondContact OH-CE 3.48Å; Y254-K258 PolarHBondContact OH-NZ 3.43Å; S255-K258 PolarHBondContact O-N 3.16Å; K258-D261 PolarHBondContact O-N 3.02Å; K258-F264 WeakPolarHBondContact O-CB 3.44Å
259M88.9Confident86.5Confident2 Ų256 Ų561%0.0130%0.297CS..Hα-helixtrans-79.3-23.1-178.5-64.5174.1-159.500114.8I200 I216 V219 S255 R256 Q257 D261 F264 P271 V273I200-M259 HydrophobicContact CD1-CE 4.36Å; I200-M259 HydrophobicContact CD1-SD 3.59Å; I200-M259 VanDerWaalsContact CD1-SD 3.59Å; I200-M259 HydrophobicContact CG1-SD 4.46Å; I216-M259 HydrophobicContact CD1-CE 3.35Å; I216-M259 HydrophobicContact CD1-SD 3.7Å; I216-M259 HydrophobicContact CG1-CE 4.49Å; I216-M259 HydrophobicContact CG2-CE 4.17Å; V219-M259 HydrophobicContact CB-CE 3.81Å; V219-M259 HydrophobicContact CG1-CE 3.56Å; V219-M259 HydrophobicContact CG1-CG 3.96Å; V219-M259 HydrophobicContact CG2-CE 4.17Å; V219-M259 HydrophobicContact CG2-CG 4.41Å; S255-M259 WeakPolarHBondContact O-CB 3.01Å; S255-M259 WeakPolarHBondContact O-CG 3.48Å; S255-M259 PolarHBondContact O-N 3.4Å; R256-M259 PolarHBondContact O-N 3.4Å; Q257-M259 PolarHBondContact O-N 2.94Å; M259-D261 VanDerWaalsContact C-N 3.32Å; M259-F264 HydrophobicContact CB-CD1 3.83Å; M259-F264 HydrophobicContact CB-CE1 3.98Å; M259-F264 HydrophobicContact CG-CD1 3.91Å; M259-F264 HydrophobicContact CG-CE1 3.62Å; M259-F264 HydrophobicContact CG-CZ 4.12Å; M259-P271 HydrophobicContact CB-CG 4.49Å; M259-P271 WeakPolarHBondContact O-CG 3.44Å; M259-V273 HydrophobicContact CB-CB 4.46Å; M259-V273 HydrophobicContact CB-CG2 3.63Å; M259-V273 HydrophobicContact SD-CG2 4.27Å
260I88.8Confident86.5Confident85 Ų8558.2 Ų58.244%0.43632%0.317SS..Hα-helixtrans-77.3-22.2173.3-71.2170.8000111.1R256 Q257 V273R256-I260 HydrophobicContact CG-CD1 3.6Å; R256-I260 HydrophobicContact CG-CG1 4.42Å; R256-I260 WeakPolarHBondContact O-CB 3.48Å; R256-I260 WeakPolarHBondContact O-CG1 3.39Å; R256-I260 PolarHBondContact O-N 3.35Å; Q257-I260 PolarHBondContact O-N 3.32Å; I260-V273 HydrophobicContact CG1-CB 4.05Å
261D86.6Confident86.6Confident80 Ų8057.6 Ų57.643%0.42831%0.311SS..SBendtrans-60.2139.6178.3-173.923.5000111.8Q257 K258 M259 N263 F264Q257-D261 PolarHBondContact O-N 3.09Å; K258-D261 PolarHBondContact O-N 3.02Å; M259-D261 VanDerWaalsContact C-N 3.32Å; D261-N263 PolarHBondContact O-N 3.19Å; D261-N263 WeakPolarHBondContact OD2-CB 3.34Å; D261-N263 PolarHBondContact OD2-ND2 3.24Å; D261-F264 PolarHBondContact O-N 3.26Å
262S80.1Confident86.6Confident98 Ų9861.2 Ų61.269%0.68533%0.333SS*.THydrogen-bonded Turntrans-66.1-13.7-175.1-64.50000113.8K265S262-K265 VanDerWaalsContact O-CE 3.3Å; S262-K265 WeakPolarHBondContact O-CE 3.17Å
263N81.6Confident86.7Confident139 Ų13961.7 Ų61.774%0.74334%0.336SS*.THydrogen-bonded Turntrans-76.5-28.1173.5-61.8-47.7000112.3D261D261-N263 PolarHBondContact O-N 3.19Å; D261-N263 WeakPolarHBondContact OD2-CB 3.34Å; D261-N263 PolarHBondContact OD2-ND2 3.24Å
264F84.2Confident86.8Confident41 Ų4163.1 Ų63.118%0.1835%0.346CS..  trans-85.2123-177.6-172.5-102.1000111.7V215 V219 K258 M259 D261 L266 P271V215-F264 HydrophobicContact CG1-CE2 4.12Å; V215-F264 HydrophobicContact CG1-CZ 3.75Å; V219-F264 HydrophobicContact CG2-CD2 3.96Å; V219-F264 HydrophobicContact CG2-CE2 3.22Å; V219-F264 HydrophobicContact CG2-CZ 3.59Å; K258-F264 WeakPolarHBondContact O-CB 3.44Å; M259-F264 HydrophobicContact CB-CD1 3.83Å; M259-F264 HydrophobicContact CB-CE1 3.98Å; M259-F264 HydrophobicContact CG-CD1 3.91Å; M259-F264 HydrophobicContact CG-CE1 3.62Å; M259-F264 HydrophobicContact CG-CZ 4.12Å; D261-F264 PolarHBondContact O-N 3.26Å; F264-L266 HydrophobicContact CE1-CD2 3.54Å; F264-L266 HydrophobicContact CE1-CG 4.23Å; F264-L266 HydrophobicContact CZ-CD2 3.56Å; F264-P271 HydrophobicContact CD1-CG 3.72Å; F264-P271 HydrophobicContact CE1-CG 3.89Å
265K83.6Confident86.7Confident122 Ų12265.6 Ų65.653%0.5336%0.355SS..  trans-144.7128.9-176.7-63.5-178.8-1761740112.1S262 E267 N269S262-K265 VanDerWaalsContact O-CE 3.3Å; S262-K265 WeakPolarHBondContact O-CE 3.17Å; K265-E267 PolarHBondContact O-N 3.16Å; K265-N269 CarbonylContact C-O 3.57Å; K265-N269 VanDerWaalsContact CA-O 3.3Å; K265-N269 WeakPolarHBondContact CA-O 3.35Å
266L83.4Confident86.5Confident2 Ų266 Ų661%0.0136%0.358CS..BIsolated β-bridgetrans-87.1103.8173.1-50.5-176.6000108.5I203 P204 W207 F212 V215 F264 G268 N269 P271I203-L266 HydrophobicContact CG1-CD1 4.18Å; P204-L266 HydrophobicContact CG-CB 4.04Å; W207-L266 HydrophobicContact CH2-CB 3.9Å; W207-L266 HydrophobicContact CH2-CD2 3.73Å; W207-L266 HydrophobicContact CH2-CG 4.32Å; W207-L266 HydrophobicContact CZ2-CB 4.37Å; W207-L266 HydrophobicContact CZ3-CB 4.21Å; W207-L266 HydrophobicContact CZ3-CD1 4.33Å; W207-L266 HydrophobicContact CZ3-CD2 3.78Å; W207-L266 HydrophobicContact CZ3-CG 4.32Å; F212-L266 HydrophobicContact CE2-CD1 4.26Å; V215-L266 HydrophobicContact CG1-CD2 3.79Å; F264-L266 HydrophobicContact CE1-CD2 3.54Å; F264-L266 HydrophobicContact CE1-CG 4.23Å; F264-L266 HydrophobicContact CZ-CD2 3.56Å; L266-G268 PolarHBondContact O-N 2.97Å; L266-G268 VanDerWaalsContact O-N 3.14Å; L266-N269 PolarHBondContact N-O 3.39Å; L266-N269 WeakPolarHBondContact O-CB 3.27Å; L266-N269 PolarHBondContact O-N 3.21Å; L266-P271 HydrophobicContact CD1-CB 3.95Å; L266-P271 HydrophobicContact CG-CB 4.27Å; L266-P271 HydrophobicContact CG-CG 4.38Å
267E78.7Confident85.8Confident121 Ų12169.5 Ų69.557%0.56538%0.382SS*.THydrogen-bonded Turntrans49.536-172.3-69.2-175.4178.100114.2P204 N206 W207 K265 N269P204-E267 HydrophobicContact CG-CB 4Å; P204-E267 HydrophobicContact CG-CG 4.31Å; N206-E267 PolarHBondContact ND2-OE1 3.42Å; N206-E267 PolarHBondContact ND2-OE2 3.05Å; W207-E267 HydrophobicContact CZ2-CG 3.89Å; W207-E267 PolarHBondContact NE1-OE1 3.16Å; K265-E267 PolarHBondContact O-N 3.16Å; E267-N269 VanDerWaalsContact C-N 3.32Å; E267-N269 PolarHBondContact O-N 3.27Å
268G78.2Confident84.7Confident54 Ų5468.2 Ų68.256%0.55738%0.384SS*.THydrogen-bonded Turntrans87-9.9-178.400000115.1L266L266-G268 PolarHBondContact O-N 2.97Å; L266-G268 VanDerWaalsContact O-N 3.14Å
269N80.9Confident83.4Confident70 Ų7068.8 Ų68.837%0.37439%0.386SS..BIsolated β-bridgetrans-81.3132.8169.8-66.6-29.9000110.4K265 L266 E267K265-N269 CarbonylContact C-O 3.57Å; K265-N269 VanDerWaalsContact CA-O 3.3Å; K265-N269 WeakPolarHBondContact CA-O 3.35Å; L266-N269 PolarHBondContact N-O 3.39Å; L266-N269 WeakPolarHBondContact O-CB 3.27Å; L266-N269 PolarHBondContact O-N 3.21Å; E267-N269 VanDerWaalsContact C-N 3.32Å; E267-N269 PolarHBondContact O-N 3.27Å
270A87.4Confident81.5Confident61 Ų6173.7 Ų73.750%0.50442%0.421SS..PPolyproline II helixtrans-73.4125.1166.500000108.9N202N202-A270 PolarHBondContact ND2-O 2.85Å
271P89.9Confident79.4Confident14 Ų1471.3 Ų71.39%0.09141%0.411CS..PPolyproline II helixtrans-72.7149.4176.930.6-34.1000111.3I200 G201 M259 F264 L266 V273I200-P271 HydrophobicContact CG2-CB 4.17Å; G201-P271 WeakPolarHBondContact O-CA 3.45Å; M259-P271 HydrophobicContact CB-CG 4.49Å; M259-P271 WeakPolarHBondContact O-CG 3.44Å; F264-P271 HydrophobicContact CD1-CG 3.72Å; F264-P271 HydrophobicContact CE1-CG 3.89Å; L266-P271 HydrophobicContact CD1-CB 3.95Å; L266-P271 HydrophobicContact CG-CB 4.27Å; L266-P271 HydrophobicContact CG-CG 4.38Å; P271-V273 HydrophobicContact CB-CG2 4.08Å; P271-V273 HydrophobicContact CG-CG2 4.18Å
272T91.1Very high77.5Confident76 Ų7670.5 Ų70.547%0.46641%0.411SS..EExtended strand (participates in β ladder)trans-92.3101.7170.2-58.30000108.3G201G201-T272 PolarHBondContact N-O 3.48Å; G201-T272 PolarHBondContact O-N 3.14Å
273V92.5Very high75.9Confident10 Ų1072.9 Ų72.96%0.06141%0.411CS..EExtended strand (participates in β ladder)trans-106.4119.4-179.7-170.80000111.6L198 F199 I200 R256 M259 I260 P271L198-V273 HydrophobicContact CB-CG1 4.47Å; L198-V273 HydrophobicContact CD1-CG1 3.95Å; L198-V273 HydrophobicContact CD2-CG1 4.46Å; F199-V273 WeakPolarHBondContact O-CA 3.47Å; I200-V273 HydrophobicContact CG1-CG1 4.19Å; I200-V273 HydrophobicContact CG1-CG2 4.14Å; I200-V273 HydrophobicContact CG2-CG2 4.25Å; R256-V273 HydrophobicContact CB-CG1 4.16Å; R256-V273 HydrophobicContact CG-CG1 3.99Å; M259-V273 HydrophobicContact CB-CB 4.46Å; M259-V273 HydrophobicContact CB-CG2 3.63Å; M259-V273 HydrophobicContact SD-CG2 4.27Å; I260-V273 HydrophobicContact CG1-CB 4.05Å; P271-V273 HydrophobicContact CB-CG2 4.08Å; P271-V273 HydrophobicContact CG-CG2 4.18Å
274T91.7Very high74.5Confident63 Ų6373.4 Ų73.439%0.38741%0.409SS..EExtended strand (participates in β ladder)trans-131.7165175.862.50000109.9F199 A276F199-T274 PolarHBondContact N-O 2.91Å; F199-T274 PolarHBondContact O-N 2.93Å; T274-A276 PolarHBondContact O-N 3.46Å
275W89.8Confident73.2Confident89 Ų8973.4 Ų73.434%0.33741%0.414SS..EExtended strand (participates in β ladder)trans-56.5137.1159.3-63.8119000108.7S195 L198 N249 A252 D253S195-W275 WeakPolarHBondContact O-CH2 3.37Å; S195-W275 WeakPolarHBondContact O-CZ3 3.14Å; L198-W275 HydrophobicContact CD2-CD2 4.31Å; L198-W275 HydrophobicContact CD2-CE3 3.52Å; L198-W275 HydrophobicContact CD2-CH2 4.14Å; L198-W275 HydrophobicContact CD2-CZ3 3.39Å; N249-W275 VanDerWaalsContact ND2-CH2 3.29Å; N249-W275 WeakPolarHBondContact ND2-CH2 3.3Å; A252-W275 HydrophobicContact CB-CH2 3.96Å; A252-W275 HydrophobicContact CB-CZ3 3.67Å; D253-W275 HydrophobicContact CB-CH2 3.78Å; D253-W275 HydrophobicContact CB-CZ2 3.89Å; D253-W275 VanDerWaalsContact OD1-CZ2 3.29Å; D253-W275 WeakPolarHBondContact OD1-CZ2 3.27Å
276A86.3Confident72Confident8 Ų871.1 Ų71.17%0.06642%0.418CS..PPolyproline II helixtrans-73142.1171.100000108.7R197 F199 F243 T274R197-A276 HydrophobicContact CB-CB 4Å; R197-A276 HydrophobicContact CG-CB 3.63Å; R197-A276 WeakPolarHBondContact O-CB 3.47Å; R197-A276 PolarHBondContact O-N 2.9Å; F199-A276 HydrophobicContact CB-CB 4.3Å; F243-A276 HydrophobicContact CD1-CB 3.77Å; F243-A276 HydrophobicContact CE1-CB 4.07Å; T274-A276 PolarHBondContact O-N 3.46Å
277D78.9Confident71Confident140 Ų14073 Ų7375%0.74943%0.433SS*.PPolyproline II helixtrans-56.5144.1166.8-64.1-49.1000109.5K279D277-K279 PolarHBondContact O-N 2.81Å
278P67.7Low70.3Confident91 Ų9167.5 Ų67.559%0.59141%0.409SS*.  trans-4296.2164.8-36.341000112L194 S280L194-P278 HydrophobicContact CB-CG 4.46Å; L194-P278 HydrophobicContact CD1-CB 3.5Å; L194-P278 VanDerWaalsContact CD1-CB 3.5Å; L194-P278 HydrophobicContact CD1-CG 3.85Å; P278-S280 PolarHBondContact O-N 2.76Å
279K61.2Low69.8Low79 Ų7966.8 Ų66.834%0.34340%0.397SS..  trans-64.4113169.6-88-148.7-179.6-179.20106.2E227 D277 S281E227-K279 IonicContact OE1-NZ 3.61Å; E227-K279 PolarHBondContact OE1-NZ 2.92Å; E227-K279 IonicContact OE2-NZ 4Å; E227-K279 PolarHBondContact OE2-NZ 2.87Å; D277-K279 PolarHBondContact O-N 2.81Å; K279-S281 PolarHBondContact O-N 2.79Å
280S48.1Very low69.5Low104 Ų10470.4 Ų70.473%0.72741%0.412SS*.  trans-65.567.8155.1-169.60000108.3P278P278-S280 PolarHBondContact O-N 2.76Å
281S44.9Very low69.2Low35 Ų3568.1 Ų68.125%0.24539%0.392CS..  trans-69.9125.4163.7-176.40000105.8K279 E283 H284 S285K279-S281 PolarHBondContact O-N 2.79Å; S281-E283 PolarHBondContact O-N 3.16Å; S281-H284 PolarHBondContact O-N 3.39Å; S281-S285 PolarHBondContact O-N 2.81Å
282P46.5Very low69.2Low64 Ų6472.5 Ų72.542%0.41641%0.409SS..THydrogen-bonded Turntrans-66.84.7-178.229.3-36.3000113.8A288 P368P282-A288 WeakPolarHBondContact O-CB 3.14Å; P282-P368 WeakPolarHBondContact O-CD 3.36Å
283E47.4Very low69.2Low147 Ų14769.4 Ų69.469%0.68739%0.392SS*.THydrogen-bonded Turntrans-98.9-23.3172.6-64.9173.317500113.4S281 A288S281-E283 PolarHBondContact O-N 3.16Å; E283-A288 VanDerWaalsContact C-CB 3.43Å; E283-A288 WeakPolarHBondContact O-CB 3.39Å
284H51.6Low69.1Low151 Ų15169 Ų6970%0.69939%0.389SS*.THydrogen-bonded Turntrans-122.51.5-172.8-7076.1000113.9S281S281-H284 PolarHBondContact O-N 3.39Å
285S56.6Low69Low40 Ų4069.1 Ų69.128%0.2838%0.383SS..SBendtrans-65.2151.5168.4176.80000110.9S281 A287 A288 A289S281-S285 PolarHBondContact O-N 2.81Å; S285-A287 PolarHBondContact O-N 2.97Å; S285-A287 PolarHBondContact OG-N 2.72Å; S285-A288 WeakPolarHBondContact O-CA 3.37Å; S285-A288 WeakPolarHBondContact O-CB 3.43Å; S285-A288 PolarHBondContact O-N 2.99Å; S285-A289 PolarHBondContact O-N 3.34Å
286A59.6Low69.1Low75 Ų7564.9 Ų64.962%0.6237%0.367SS*.THydrogen-bonded Turntrans-54.1-35.4170.400000111.9A288 A289 Q290A286-A288 VanDerWaalsContact C-N 3.32Å; A286-A288 PolarHBondContact O-N 2.68Å; A286-A289 CarbonylContact O-C 3.49Å; A286-A289 WeakPolarHBondContact O-CB 3.46Å; A286-A289 PolarHBondContact O-N 2.89Å; A286-Q290 WeakPolarHBondContact O-CG 3.27Å; A286-Q290 PolarHBondContact O-N 2.86Å
287A62.5Low69.1Low41 Ų4168.1 Ų68.134%0.33938%0.38SS..THydrogen-bonded Turntrans-64.7-33.8172.900000112.7S285 Q290 V291 P368S285-A287 PolarHBondContact O-N 2.97Å; S285-A287 PolarHBondContact OG-N 2.72Å; A287-Q290 PolarHBondContact O-N 3.46Å; A287-V291 WeakPolarHBondContact O-CG2 3.04Å; A287-V291 PolarHBondContact O-N 2.76Å; A287-P368 HydrophobicContact CB-CB 3.83Å; A287-P368 HydrophobicContact CB-CG 4.22Å
288A64.2Low69.5Low6 Ų664.7 Ų64.75%0.0536%0.361CS..G310 helixtrans-67.5-38.9172.800000111.5P282 E283 S285 A286 Q290 V291 P368P282-A288 WeakPolarHBondContact O-CB 3.14Å; E283-A288 VanDerWaalsContact C-CB 3.43Å; E283-A288 WeakPolarHBondContact O-CB 3.39Å; S285-A288 WeakPolarHBondContact O-CA 3.37Å; S285-A288 WeakPolarHBondContact O-CB 3.43Å; S285-A288 PolarHBondContact O-N 2.99Å; A286-A288 VanDerWaalsContact C-N 3.32Å; A286-A288 PolarHBondContact O-N 2.68Å; A288-Q290 PolarHBondContact O-N 3.29Å; A288-V291 WeakPolarHBondContact O-CB 3.17Å; A288-V291 PolarHBondContact O-N 3Å; A288-V291 VanDerWaalsContact O-N 3.13Å; A288-P368 HydrophobicContact CB-CG 4.47Å
289A67.9Low70.4Confident38 Ų3860.9 Ų60.931%0.31434%0.336SS..G310 helixtrans-67.3-9173.900000113.8S285 A286 R341S285-A289 PolarHBondContact O-N 3.34Å; A286-A289 CarbonylContact O-C 3.49Å; A286-A289 WeakPolarHBondContact O-CB 3.46Å; A286-A289 PolarHBondContact O-N 2.89Å; A289-R341 WeakPolarHBondContact O-CD 3.3Å; A289-R341 PolarHBondContact O-NE 3.01Å; A289-R341 VanDerWaalsContact O-NE 3.08Å; A289-R341 PolarHBondContact O-NH1 3.37Å
290Q74.6Confident71.4Confident147 Ų14757.6 Ų57.669%0.68732%0.322SS*.G310 helixtrans-106.5-1.7173.9-68.5172.1-13.700113.2A286 A287 A288 K292A286-Q290 WeakPolarHBondContact O-CG 3.27Å; A286-Q290 PolarHBondContact O-N 2.86Å; A287-Q290 PolarHBondContact O-N 3.46Å; A288-Q290 PolarHBondContact O-N 3.29Å; Q290-K292 PolarHBondContact O-N 3.25Å
291V80.5Confident72.8Confident13 Ų1357.4 Ų57.48%0.07931%0.31CS..  trans-64.8112.3-179.9173.50000110.8A287 A288 A293 L365 A366 P368A287-V291 WeakPolarHBondContact O-CG2 3.04Å; A287-V291 PolarHBondContact O-N 2.76Å; A288-V291 WeakPolarHBondContact O-CB 3.17Å; A288-V291 PolarHBondContact O-N 3Å; A288-V291 VanDerWaalsContact O-N 3.13Å; V291-A293 HydrophobicContact CG1-CB 4.44Å; V291-A293 WeakPolarHBondContact CG1-O 3.42Å; V291-L365 HydrophobicContact CB-CD2 4.33Å; V291-L365 HydrophobicContact CG1-CD2 3.79Å; V291-A366 HydrophobicContact CG1-CB 4.26Å; V291-A366 WeakPolarHBondContact CG1-O 3.5Å; V291-P368 HydrophobicContact CG2-CB 3.81Å; V291-P368 HydrophobicContact CG2-CG 4.34Å
292K89.1Confident74.3Confident105 Ų10562.7 Ų62.746%0.45734%0.335SS..  trans-97.38.1169-57.2-179.9175-169.30113Q290 Y338 A339 R341Q290-K292 PolarHBondContact O-N 3.25Å; K292-Y338 PolarHBondContact O-N 2.82Å; K292-A339 WeakPolarHBondContact CD-O 3.47Å; K292-A339 WeakPolarHBondContact CE-O 3.1Å; K292-A339 PolarHBondContact NZ-O 2.84Å; K292-R341 HydrophobicContact CG-CB 4.33Å
293A91.2Very high75.9Confident12 Ų1260.3 Ų60.310%0.09932%0.32CS..EExtended strand (participates in β ladder)trans-116.3143.2-173.100000112.7V291 V336 A366V291-A293 HydrophobicContact CG1-CB 4.44Å; V291-A293 WeakPolarHBondContact CG1-O 3.42Å; A293-V336 CarbonylContact C-O 3.45Å; A293-V336 VanDerWaalsContact CA-O 3.26Å; A293-V336 WeakPolarHBondContact CA-O 3.22Å; A293-A366 HydrophobicContact CB-CB 3.85Å; A293-A366 VanDerWaalsContact O-CB 3.22Å; A293-A366 WeakPolarHBondContact O-CB 3.24Å; A293-A366 PolarHBondContact O-N 3.47Å
294L91.1Very high77.7Confident0 Ų055.3 Ų55.30%030%0.301CS..EExtended strand (participates in β ladder)trans-98.4145.3170.7-56.7-177.8000110.4V296 F312 F335 V336 Y338 A344 A347 V348 V363 V364L294-V296 HydrophobicContact CB-CG2 4.19Å; L294-F312 HydrophobicContact CD1-CD1 3.83Å; L294-F312 HydrophobicContact CD1-CE1 3.83Å; L294-F335 WeakPolarHBondContact O-CA 3.38Å; L294-V336 HydrophobicContact CB-CB 4.34Å; L294-V336 PolarHBondContact N-O 2.85Å; L294-V336 PolarHBondContact O-N 3.18Å; L294-Y338 HydrophobicContact CD1-CE2 3.71Å; L294-Y338 HydrophobicContact CG-CE2 3.98Å; L294-A344 HydrophobicContact CD2-CB 4.09Å; L294-A347 HydrophobicContact CD1-CB 3.76Å; L294-V348 HydrophobicContact CD2-CG2 3.47Å; L294-V348 VanDerWaalsContact CD2-CG2 3.47Å; L294-V363 HydrophobicContact CB-CG1 4.44Å; L294-V363 HydrophobicContact CD1-CG1 3.75Å; L294-V363 HydrophobicContact CD2-CG1 4.44Å; L294-V363 HydrophobicContact CG-CG1 4.45Å; L294-V364 CarbonylContact C-O 3.58Å; L294-V364 WeakPolarHBondContact CA-O 3.48Å
295Y90.4Very high79.4Confident67 Ų6751.6 Ų51.626%0.26329%0.289SS..EExtended strand (participates in β ladder)trans-95.6123.2158.4175.6-108000108.2K297 F333 F335 V364Y295-K297 HydrophobicContact CD1-CB 4.44Å; Y295-K297 HydrophobicContact CE1-CB 3.71Å; Y295-K297 HydrophobicContact CE1-CD 3.9Å; Y295-K297 HydrophobicContact CE1-CG 4.45Å; Y295-F333 HydrophobicContact CE2-CB 3.77Å; Y295-F333 AromaticContact CE2-CD2 3.73Å; Y295-F333 HydrophobicContact CE2-CD2 3.73Å; Y295-F333 AromaticContact CE2-CG 4Å; Y295-F333 HydrophobicContact CE2-CG 4Å; Y295-F335 HydrophobicContact CD2-CD1 4.23Å; Y295-F335 AromaticContact CD2-CE1 3.65Å; Y295-F335 HydrophobicContact CD2-CE1 3.65Å; Y295-F335 AromaticContact CD2-CZ 3.89Å; Y295-F335 HydrophobicContact CD2-CZ 3.89Å; Y295-F335 HydrophobicContact CE2-CZ 4.33Å; Y295-F335 HydrophobicContact CG-CE1 4.45Å; Y295-V364 PolarHBondContact N-O 2.89Å; Y295-V364 PolarHBondContact O-N 2.81Å
296V90.1Very high80.8Confident0 Ų056.8 Ų56.80%031%0.309CS..EExtended strand (participates in β ladder)trans-117.5124.6-178.5-176.50000108L294 I299 F312 F333 G334 V336 L361 E362 V363L294-V296 HydrophobicContact CB-CG2 4.19Å; V296-I299 HydrophobicContact CB-CD1 4.17Å; V296-I299 HydrophobicContact CG1-CD1 3.95Å; V296-I299 HydrophobicContact CG1-CG1 3.9Å; V296-F312 HydrophobicContact CG1-CE2 4.17Å; V296-F312 HydrophobicContact CG1-CZ 4.09Å; V296-F312 HydrophobicContact CG2-CE1 4.44Å; V296-F312 HydrophobicContact CG2-CE2 3.82Å; V296-F312 HydrophobicContact CG2-CZ 3.65Å; V296-F333 CarbonylContact O-C 3.5Å; V296-F333 WeakPolarHBondContact O-CA 3.26Å; V296-F333 WeakPolarHBondContact O-CB 3.23Å; V296-G334 PolarHBondContact N-O 3.49Å; V296-G334 PolarHBondContact O-N 2.8Å; V296-V336 HydrophobicContact CG2-CG2 3.92Å; V296-L361 HydrophobicContact CG1-CB 4.12Å; V296-L361 HydrophobicContact CG1-CD1 3.79Å; V296-L361 HydrophobicContact CG1-CG 4.42Å; V296-E362 CarbonylContact C-O 3.52Å; V296-E362 WeakPolarHBondContact CA-O 3.39Å; V296-V363 HydrophobicContact CG1-CG2 4.41Å; V296-V363 HydrophobicContact CG2-CG2 4.49Å
297K88.1Confident82.2Confident76 Ų7656.8 Ų56.833%0.3330%0.296SS..EExtended strand (participates in β ladder)trans-125.3160.4-175.7167.2164.6163.1-94.20110.9Y295 D332 L361 E362Y295-K297 HydrophobicContact CD1-CB 4.44Å; Y295-K297 HydrophobicContact CE1-CB 3.71Å; Y295-K297 HydrophobicContact CE1-CD 3.9Å; Y295-K297 HydrophobicContact CE1-CG 4.45Å; K297-D332 CarbonylContact C-O 3.54Å; K297-L361 WeakPolarHBondContact O-CA 3.4Å; K297-E362 HydrophobicContact CB-CB 4.14Å; K297-E362 HydrophobicContact CG-CB 4.46Å; K297-E362 PolarHBondContact N-O 2.81Å; K297-E362 IonicContact NZ-OE1 3.28Å; K297-E362 PolarHBondContact NZ-OE1 2.89Å; K297-E362 IonicContact NZ-OE2 3.93Å; K297-E362 PolarHBondContact NZ-OE2 2.75Å; K297-E362 PolarHBondContact O-N 2.88Å
298N86.6Confident83.4Confident68 Ų6854.9 Ų54.936%0.36428%0.28SS..SBendtrans66.235.4-171.8-160.246000113.3P300 D332 P360 L361N298-P300 WeakPolarHBondContact O-CD 3.46Å; N298-D332 PolarHBondContact N-O 3.21Å; N298-P360 PolarHBondContact ND2-O 2.84Å; N298-L361 WeakPolarHBondContact O-CD2 3.41Å
299I85.9Confident84.6Confident11 Ų1159 Ų596%0.05630%0.297CS..  trans-71.2127.6177.3-55.7-179000109.5V296 T303 L308 T323 R331 D332 L361V296-I299 HydrophobicContact CB-CD1 4.17Å; V296-I299 HydrophobicContact CG1-CD1 3.95Å; V296-I299 HydrophobicContact CG1-CG1 3.9Å; I299-T303 HydrophobicContact CG2-CG2 4.25Å; I299-L308 HydrophobicContact CD1-CD1 4.09Å; I299-L308 HydrophobicContact CD1-CD2 4.39Å; I299-L308 HydrophobicContact CG2-CD1 4.4Å; I299-T323 HydrophobicContact CD1-CG2 4.12Å; I299-R331 VanDerWaalsContact O-O 3.13Å; I299-D332 PolarHBondContact N-O 2.67Å; I299-D332 VanDerWaalsContact N-O 3.15Å; I299-L361 HydrophobicContact CG1-CD2 4.33Å
300P82.1Confident85.6Confident9 Ų964.8 Ų64.86%0.05832%0.318CS..  trans-64.8140.5174.5-1623.5000111.8N298 N302 T303 V356 N357 Q359N298-P300 WeakPolarHBondContact O-CD 3.46Å; P300-N302 PolarHBondContact O-N 2.94Å; P300-T303 WeakPolarHBondContact CB-OG1 3.41Å; P300-T303 VanDerWaalsContact CD-OG1 3.25Å; P300-T303 WeakPolarHBondContact CD-OG1 3.34Å; P300-T303 WeakPolarHBondContact CG-OG1 3.41Å; P300-T303 VanDerWaalsContact O-CB 3.23Å; P300-T303 WeakPolarHBondContact O-CB 3.41Å; P300-T303 PolarHBondContact O-N 2.98Å; P300-T303 PolarHBondContact O-OG1 3.22Å; P300-V356 HydrophobicContact CG-CB 4.07Å; P300-V356 HydrophobicContact CG-CG1 4.27Å; P300-V356 WeakPolarHBondContact CG-O 3.41Å; P300-N357 HydrophobicContact CG-CB 4.47Å; P300-Q359 HydrophobicContact CG-CB 4.2Å; P300-Q359 HydrophobicContact CG-CG 4.4Å
301E78.1Confident86.2Confident101 Ų10159.7 Ų59.747%0.47230%0.295SS..THydrogen-bonded Turntrans-61.1-23.2-175.3-163.2163.1-130.800114.2K330 R331E301-K330 WeakPolarHBondContact OE1-CA 3.44Å; E301-R331 PolarHBondContact O-NH2 3.09Å
302N76.6Confident86.6Confident145 Ų14559 Ų5978%0.77529%0.291SS*.THydrogen-bonded Turntrans-87-3.2175.8-68.5-18.5000114.4P300P300-N302 PolarHBondContact O-N 2.94Å
303T80.8Confident86.7Confident14 Ų1458.8 Ų58.89%0.08629%0.292CS..  trans-78.1127.8-176.5-52.60000110.6I299 P300 Q307 L308 V356I299-T303 HydrophobicContact CG2-CG2 4.25Å; P300-T303 WeakPolarHBondContact CB-OG1 3.41Å; P300-T303 VanDerWaalsContact CD-OG1 3.25Å; P300-T303 WeakPolarHBondContact CD-OG1 3.34Å; P300-T303 WeakPolarHBondContact CG-OG1 3.41Å; P300-T303 VanDerWaalsContact O-CB 3.23Å; P300-T303 WeakPolarHBondContact O-CB 3.41Å; P300-T303 PolarHBondContact O-N 2.98Å; P300-T303 PolarHBondContact O-OG1 3.22Å; T303-Q307 HydrophobicContact CG2-CB 4.07Å; T303-L308 HydrophobicContact CG2-CD2 4.15Å; T303-L308 HydrophobicContact CG2-CG 3.91Å; T303-V356 HydrophobicContact CG2-CG1 3.82Å
304S84.1Confident86.5Confident43 Ų4363.9 Ų63.930%0.30131%0.308SS..  trans-82.1157.9174.775.20000111.8E306 Q307 L308S304-E306 PolarHBondContact O-N 3.3Å; S304-E306 PolarHBondContact OG-N 2.71Å; S304-Q307 VanDerWaalsContact N-OE1 3.14Å; S304-Q307 PolarHBondContact O-N 2.71Å; S304-Q307 WeakPolarHBondContact OG-CG 3.04Å; S304-Q307 PolarHBondContact OG-N 3.33Å; S304-Q307 VanDerWaalsContact OG-N 3.1Å; S304-L308 PolarHBondContact O-N 3.22Å
305T86.5Confident86.3Confident72 Ų7264.7 Ų64.744%0.44231%0.312SS..Hα-helixtrans-60.8-28.3169.943.90000112.2K309 I321T305-K309 WeakPolarHBondContact O-CB 3.05Å; T305-K309 PolarHBondContact O-N 2.65Å; T305-I321 HydrophobicContact CG2-CG2 4.06Å; T305-I321 VanDerWaalsContact O-CD1 3.27Å; T305-I321 WeakPolarHBondContact O-CD1 3.44Å
306E87.9Confident86.2Confident150 Ų15062.5 Ų62.570%0.70131%0.31SS*.Hα-helixtrans-68.2-43.4176-60.5170.9165.400111.6S304 L308 K309 E310S304-E306 PolarHBondContact O-N 3.3Å; S304-E306 PolarHBondContact OG-N 2.71Å; E306-L308 PolarHBondContact O-N 3.09Å; E306-K309 WeakPolarHBondContact O-CA 2.96Å; E306-K309 WeakPolarHBondContact O-CB 3.44Å; E306-K309 PolarHBondContact O-N 3.32Å; E306-K309 VanDerWaalsContact O-N 3.09Å; E306-E310 PolarHBondContact O-N 3.18Å
307Q87.3Confident86.3Confident74 Ų7468.8 Ų68.835%0.34634%0.339SS..Hα-helixtrans-61.8-43.1174.6-74.4174.4-29.500111.7T303 S304 K309 E310 L311T303-Q307 HydrophobicContact CG2-CB 4.07Å; S304-Q307 VanDerWaalsContact N-OE1 3.14Å; S304-Q307 PolarHBondContact O-N 2.71Å; S304-Q307 WeakPolarHBondContact OG-CG 3.04Å; S304-Q307 PolarHBondContact OG-N 3.33Å; S304-Q307 VanDerWaalsContact OG-N 3.1Å; Q307-K309 VanDerWaalsContact C-N 3.3Å; Q307-K309 PolarHBondContact O-N 2.85Å; Q307-E310 PolarHBondContact O-N 2.79Å; Q307-L311 WeakPolarHBondContact O-CB 3.33Å; Q307-L311 WeakPolarHBondContact O-CD1 3.03Å; Q307-L311 WeakPolarHBondContact O-CG 3.34Å; Q307-L311 PolarHBondContact O-N 3.18Å
308L88.4Confident86.5Confident2 Ų265.5 Ų65.51%0.0133%0.325CS..Hα-helixtrans-61-41172.6-68.3169.3000111I299 T303 S304 E306 L311 F312 I321 L361I299-L308 HydrophobicContact CD1-CD1 4.09Å; I299-L308 HydrophobicContact CD1-CD2 4.39Å; I299-L308 HydrophobicContact CG2-CD1 4.4Å; T303-L308 HydrophobicContact CG2-CD2 4.15Å; T303-L308 HydrophobicContact CG2-CG 3.91Å; S304-L308 PolarHBondContact O-N 3.22Å; E306-L308 PolarHBondContact O-N 3.09Å; L308-L311 PolarHBondContact O-N 2.87Å; L308-F312 HydrophobicContact CD2-CE2 4.15Å; L308-F312 WeakPolarHBondContact O-CB 3.42Å; L308-F312 VanDerWaalsContact O-CD2 3.23Å; L308-F312 WeakPolarHBondContact O-CD2 3.3Å; L308-F312 PolarHBondContact O-N 2.81Å; L308-I321 HydrophobicContact CB-CD1 4.04Å; L308-I321 HydrophobicContact CD1-CG2 4.25Å; L308-L361 HydrophobicContact CD2-CD1 4.24Å
309K89.4Confident86.7Confident93 Ų9366.3 Ų66.340%0.40433%0.333SS..Hα-helixtrans-59.8-52.8177-165.6179.2179.1178.40110.9T305 E306 Q307 L311 F312 Q313 V318 I321T305-K309 WeakPolarHBondContact O-CB 3.05Å; T305-K309 PolarHBondContact O-N 2.65Å; E306-K309 WeakPolarHBondContact O-CA 2.96Å; E306-K309 WeakPolarHBondContact O-CB 3.44Å; E306-K309 PolarHBondContact O-N 3.32Å; E306-K309 VanDerWaalsContact O-N 3.09Å; Q307-K309 VanDerWaalsContact C-N 3.3Å; Q307-K309 PolarHBondContact O-N 2.85Å; K309-L311 VanDerWaalsContact C-N 3.34Å; K309-L311 PolarHBondContact O-N 3.48Å; K309-F312 PolarHBondContact O-N 2.87Å; K309-Q313 WeakPolarHBondContact O-CB 3.34Å; K309-Q313 PolarHBondContact O-N 2.82Å; K309-V318 HydrophobicContact CG-CB 4.27Å; K309-V318 HydrophobicContact CG-CG1 4.36Å; K309-I321 HydrophobicContact CB-CD1 3.61Å; K309-I321 HydrophobicContact CG-CD1 4.25Å
310E88.8Confident86.9Confident158 Ų15871.8 Ų71.874%0.73836%0.356SS*.Hα-helixtrans-58.1-44179.7-169.1172.5-163.400112.1E306 Q307 F312E306-E310 PolarHBondContact O-N 3.18Å; Q307-E310 PolarHBondContact O-N 2.79Å; E310-F312 PolarHBondContact O-N 2.82Å
311L88Confident87.3Confident40 Ų4073 Ų7321%0.20936%0.362CS..Hα-helixtrans-63.2-37.3177.9-85.4158.6000114.7Q307 L308 K309 R314 V356Q307-L311 WeakPolarHBondContact O-CB 3.33Å; Q307-L311 WeakPolarHBondContact O-CD1 3.03Å; Q307-L311 WeakPolarHBondContact O-CG 3.34Å; Q307-L311 PolarHBondContact O-N 3.18Å; L308-L311 PolarHBondContact O-N 2.87Å; K309-L311 VanDerWaalsContact C-N 3.34Å; K309-L311 PolarHBondContact O-N 3.48Å; L311-R314 PolarHBondContact O-NE 2.91Å; L311-R314 PolarHBondContact O-NH2 3.46Å; L311-V356 HydrophobicContact CD1-CG2 3.36Å
312F89.3Confident87.8Confident0 Ų070.6 Ų70.60%035%0.354CS..Hα-helixtrans-94.9-22.3-177.1-75.9-66.1000113.1L294 V296 L308 K309 E310 R314 H315 V318 V336 Y338 Y354 L361 V363L294-F312 HydrophobicContact CD1-CD1 3.83Å; L294-F312 HydrophobicContact CD1-CE1 3.83Å; V296-F312 HydrophobicContact CG1-CE2 4.17Å; V296-F312 HydrophobicContact CG1-CZ 4.09Å; V296-F312 HydrophobicContact CG2-CE1 4.44Å; V296-F312 HydrophobicContact CG2-CE2 3.82Å; V296-F312 HydrophobicContact CG2-CZ 3.65Å; L308-F312 HydrophobicContact CD2-CE2 4.15Å; L308-F312 WeakPolarHBondContact O-CB 3.42Å; L308-F312 VanDerWaalsContact O-CD2 3.23Å; L308-F312 WeakPolarHBondContact O-CD2 3.3Å; L308-F312 PolarHBondContact O-N 2.81Å; K309-F312 PolarHBondContact O-N 2.87Å; E310-F312 PolarHBondContact O-N 2.82Å; F312-R314 PolarHBondContact O-N 3.02Å; F312-H315 PolarHBondContact O-N 2.9Å; F312-V318 HydrophobicContact CB-CG2 4.03Å; F312-V336 HydrophobicContact CB-CG1 3.91Å; F312-V336 HydrophobicContact CD2-CG1 4.28Å; F312-V336 HydrophobicContact CD2-CG2 3.81Å; F312-V336 HydrophobicContact CE2-CG2 4.12Å; F312-V336 HydrophobicContact CG-CG1 4.11Å; F312-V336 HydrophobicContact CG-CG2 4.4Å; F312-Y338 WeakPolarHBondContact CB-OH 3.42Å; F312-Y338 WeakPolarHBondContact O-CE1 3.27Å; F312-Y338 PolarHBondContact O-OH 3.05Å; F312-Y354 HydrophobicContact CD1-CD1 4.32Å; F312-Y354 AromaticContact CD1-CE1 3.84Å; F312-Y354 HydrophobicContact CD1-CE1 3.84Å; F312-Y354 AromaticContact CE1-CD1 3.72Å; F312-Y354 HydrophobicContact CE1-CD1 3.72Å; F312-Y354 HydrophobicContact CE1-CD2 4.49Å; F312-Y354 AromaticContact CE1-CE1 3.53Å; F312-Y354 HydrophobicContact CE1-CE1 3.53Å; F312-Y354 HydrophobicContact CE1-CE2 4.31Å; F312-Y354 HydrophobicContact CE1-CG 4.24Å; F312-Y354 AromaticContact CE1-CZ 3.85Å; F312-Y354 HydrophobicContact CZ-CD1 4.02Å; F312-Y354 HydrophobicContact CZ-CE1 4.3Å; F312-Y354 HydrophobicContact CZ-CG 4.34Å; F312-L361 HydrophobicContact CE2-CD1 4.4Å; F312-L361 HydrophobicContact CZ-CD1 4.4Å; F312-V363 HydrophobicContact CE1-CG1 4.09Å; F312-V363 HydrophobicContact CE1-CG2 4Å; F312-V363 HydrophobicContact CZ-CG1 4.49Å; F312-V363 HydrophobicContact CZ-CG2 3.78Å
313Q90.1Very high88.2Confident100 Ų10065.5 Ų65.547%0.46733%0.328SS..Hα-helixtrans-65-18.3178.8-175.4165.4-11.700113K309 H315 G316 V318K309-Q313 WeakPolarHBondContact O-CB 3.34Å; K309-Q313 PolarHBondContact O-N 2.82Å; Q313-H315 PolarHBondContact O-N 3.28Å; Q313-G316 CarbonylContact C-O 3.58Å; Q313-G316 WeakPolarHBondContact CA-O 3.04Å; Q313-G316 PolarHBondContact O-N 3.4Å; Q313-V318 HydrophobicContact CB-CG2 4.37Å
314R87.6Confident88.3Confident118 Ų11866.5 Ų66.545%0.44534%0.335SS..THydrogen-bonded Turntrans-60.3-27.3172.882.5179.1113.1158.80.3114L311 F312 E352 Y354L311-R314 PolarHBondContact O-NE 2.91Å; L311-R314 PolarHBondContact O-NH2 3.46Å; F312-R314 PolarHBondContact O-N 3.02Å; R314-E352 IonicContact CZ-OE2 2.58Å; R314-E352 IonicContact NH1-OE2 3.01Å; R314-E352 PolarHBondContact NH1-OE2 3.08Å; R314-Y354 VanDerWaalsContact NH2-CE1 3.28Å
315H86.7Confident87.7Confident17 Ų1769.8 Ų69.88%0.07936%0.355CS..THydrogen-bonded Turntrans-94.1-10.6-179.6-52-84.7000113.1F312 Q313 S343 K346 A347 D350 Y354F312-H315 PolarHBondContact O-N 2.9Å; Q313-H315 PolarHBondContact O-N 3.28Å; H315-S343 WeakPolarHBondContact O-CB 3.48Å; H315-S343 PolarHBondContact O-OG 3.06Å; H315-K346 HydrophobicContact CB-CB 4.18Å; H315-A347 HydrophobicContact CB-CB 4.11Å; H315-D350 IonicContact CE1-OD2 3.79Å; H315-D350 PolarHBondContact CE1-OD2 3.09Å; H315-D350 IonicContact ND1-OD2 2.68Å; H315-D350 PolarHBondContact ND1-OD2 2.92Å; H315-Y354 PolarHBondContact CD2-OH 2.87Å; H315-Y354 VanDerWaalsContact CD2-OH 3.3Å; H315-Y354 PolarHBondContact CE1-OH 3.49Å; H315-Y354 VanDerWaalsContact CE1-OH 3.22Å; H315-Y354 AromaticContact NE2-CE1 3.52Å; H315-Y354 AromaticContact NE2-CZ 3.5Å; H315-Y354 PolarHBondContact NE2-OH 2.75Å
316G88Confident86.7Confident21 Ų2166.9 Ų66.922%0.21634%0.339CS..SBendtrans152.5-177.5177.700000113.4Q313 V318 Y338Q313-G316 CarbonylContact C-O 3.58Å; Q313-G316 WeakPolarHBondContact CA-O 3.04Å; Q313-G316 PolarHBondContact O-N 3.4Å; G316-V318 PolarHBondContact O-N 3.15Å; G316-Y338 WeakPolarHBondContact O-CE1 3.41Å
317E91.7Very high85.1Confident133 Ų13370.6 Ų70.662%0.62135%0.353SS*.  trans-70.4120.4-174.9-174176.7178.500113.4Y338 A339E317-Y338 CarbonylContact O-C 3.58Å; E317-Y338 VanDerWaalsContact O-CA 3.24Å; E317-Y338 WeakPolarHBondContact O-CA 3.23Å; E317-Y338 WeakPolarHBondContact O-CD1 3.49Å; E317-A339 HydrophobicContact CB-CB 4.2Å; E317-A339 PolarHBondContact O-N 3.01Å
318V92.5Very high83.9Confident7 Ų770.8 Ų70.84%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-90.9112.2176.2177.50000110.2K309 F312 Q313 G316 I321 V336 H337 Y338K309-V318 HydrophobicContact CG-CB 4.27Å; K309-V318 HydrophobicContact CG-CG1 4.36Å; F312-V318 HydrophobicContact CB-CG2 4.03Å; Q313-V318 HydrophobicContact CB-CG2 4.37Å; G316-V318 PolarHBondContact O-N 3.15Å; V318-I321 HydrophobicContact CG1-CD1 3.99Å; V318-I321 HydrophobicContact CG1-CG1 3.7Å; V318-V336 HydrophobicContact CG1-CG1 3.72Å; V318-V336 HydrophobicContact CG2-CG1 4.04Å; V318-H337 CarbonylContact C-O 3.5Å; V318-H337 WeakPolarHBondContact CA-O 3.21Å; V318-Y338 HydrophobicContact CG2-CD1 4.04Å; V318-Y338 HydrophobicContact CG2-CE1 3.68Å
319T90.7Very high82.6Confident84 Ų8473.1 Ų73.152%0.51540%0.4SS..EExtended strand (participates in β ladder)trans-84.7-35.8-176.752.10000113.1H337 A339T319-H337 PolarHBondContact N-O 2.72Å; T319-H337 PolarHBondContact OG1-O 2.77Å; T319-A339 HydrophobicContact CG2-CB 3.81Å
320K89.9Confident81.3Confident127 Ų12775.3 Ų75.355%0.55241%0.41SS*.EExtended strand (participates in β ladder)trans-152.1140.5-176.8-169.5177.6-175.6173.50111.7V322 H337K320-V322 HydrophobicContact CD-CG2 4.11Å; K320-V322 HydrophobicContact CG-CG2 4.01Å; K320-H337 HydrophobicContact CB-CB 4Å; K320-H337 PolarHBondContact N-O 3.17Å; K320-H337 PolarHBondContact O-N 2.63Å
321I91.3Very high80.4Confident34 Ų3473.5 Ų73.517%0.17440%0.396CS..EExtended strand (participates in β ladder)trans-122.8132.6169.8-59.7176.1000108.2T305 L308 K309 V318 F335 V336T305-I321 HydrophobicContact CG2-CG2 4.06Å; T305-I321 VanDerWaalsContact O-CD1 3.27Å; T305-I321 WeakPolarHBondContact O-CD1 3.44Å; L308-I321 HydrophobicContact CB-CD1 4.04Å; L308-I321 HydrophobicContact CD1-CG2 4.25Å; K309-I321 HydrophobicContact CB-CD1 3.61Å; K309-I321 HydrophobicContact CG-CD1 4.25Å; V318-I321 HydrophobicContact CG1-CD1 3.99Å; V318-I321 HydrophobicContact CG1-CG1 3.7Å; I321-F335 WeakPolarHBondContact CA-O 3.41Å; I321-V336 HydrophobicContact CG1-CG1 4.39Å; I321-V336 HydrophobicContact CG1-CG2 4.41Å
322V88.1Confident80.1Confident51 Ų5175.4 Ų75.431%0.30941%0.406SS..EExtended strand (participates in β ladder)trans-129.1117179.3-174.90000108.3K320 P324 G334 F335K320-V322 HydrophobicContact CD-CG2 4.11Å; K320-V322 HydrophobicContact CG-CG2 4.01Å; V322-P324 HydrophobicContact CG1-CG 4.24Å; V322-P324 WeakPolarHBondContact O-CD 3.26Å; V322-G334 CarbonylContact O-C 3.46Å; V322-G334 WeakPolarHBondContact O-CA 3.26Å; V322-F335 HydrophobicContact CB-CB 4.43Å; V322-F335 PolarHBondContact N-O 3.31Å; V322-F335 PolarHBondContact O-N 2.83Å
323T86.1Confident80.1Confident37 Ų3777.7 Ų77.723%0.22742%0.416CS..  trans-116.488178.1-190000108.6I299 F333I299-T323 HydrophobicContact CD1-CG2 4.12Å; T323-F333 WeakPolarHBondContact CG2-O 3.4Å
324P81.7Confident80.1Confident35 Ų3573 Ų7323%0.22739%0.394CS..PPolyproline II helixtrans-63.2146-177.3-21.835.1000111.4V322 G326 F333 F335V322-P324 HydrophobicContact CG1-CG 4.24Å; V322-P324 WeakPolarHBondContact O-CD 3.26Å; P324-G326 PolarHBondContact O-N 3.02Å; P324-F333 HydrophobicContact CB-CE2 4.08Å; P324-F333 HydrophobicContact CB-CZ 4.09Å; P324-F333 HydrophobicContact CG-CE2 3.8Å; P324-F333 HydrophobicContact CG-CZ 4.32Å; P324-F335 HydrophobicContact CG-CD2 4.35Å; P324-F335 HydrophobicContact CG-CE2 4.2Å
325P72.5Confident80.3Confident112 Ų11269.4 Ų69.473%0.72738%0.382SS*.PPolyproline II helixtrans-66.1121168.327.9-32.4000109.5
326G64.5Low80.6Confident11 Ų1168.7 Ų68.711%0.11338%0.379CS..PPolyproline II helixtrans-71.3163.3177.500000112.7P324 G328 G329 K330P324-G326 PolarHBondContact O-N 3.02Å; G326-G328 PolarHBondContact O-N 2.77Å; G326-G329 PolarHBondContact O-N 2.85Å; G326-K330 WeakPolarHBondContact CA-O 3.47Å; G326-K330 PolarHBondContact N-O 3.31Å
327K54.7Low80.8Confident228 Ų22870.7 Ų70.799%0.99138%0.383SS*.THydrogen-bonded Turntrans-62.8107.1174.7-81-174.6174.5-179.90109.7
328G62.3Low80.8Confident79 Ų7964.6 Ų64.681%0.81435%0.354SS*.THydrogen-bonded Turntrans10611.1-175.400000115G326 K330G326-G328 PolarHBondContact O-N 2.77Å; G328-K330 VanDerWaalsContact C-N 3.31Å; G328-K330 PolarHBondContact O-N 3Å
329G59.9Low80.7Confident51 Ų5166 Ų6653%0.52637%0.366SS..SBendtrans88.9-16.3171.400000115.3G326G326-G329 PolarHBondContact O-N 2.85Å
330K62.4Low80.6Confident139 Ų13967.4 Ų67.460%0.60437%0.367SS*.  trans-68.3140175.9-61.4-173.5177.2-173.10110.9E301 G326 G328E301-K330 WeakPolarHBondContact OE1-CA 3.44Å; G326-K330 WeakPolarHBondContact CA-O 3.47Å; G326-K330 PolarHBondContact N-O 3.31Å; G328-K330 VanDerWaalsContact C-N 3.31Å; G328-K330 PolarHBondContact O-N 3Å
331R70.2Confident80.5Confident119 Ų11965.7 Ų65.745%0.44936%0.357SS..  trans-104.566.9176.2-66.2-177.7-65.1-145-0.7110.1I299 E301I299-R331 VanDerWaalsContact O-O 3.13Å; E301-R331 PolarHBondContact O-NH2 3.09Å
332D81.1Confident80.4Confident80 Ų8066.1 Ų66.143%0.42836%0.363SS..  trans-86.5-8.5-172.358.8-36.8000114.3K297 N298 I299K297-D332 CarbonylContact C-O 3.54Å; N298-D332 PolarHBondContact N-O 3.21Å; I299-D332 PolarHBondContact N-O 2.67Å; I299-D332 VanDerWaalsContact N-O 3.15Å
333F89.1Confident80.5Confident48 Ų4864 Ų6421%0.21135%0.351CS..EExtended strand (participates in β ladder)trans-145.9161.9175.770.4-84000113.4Y295 V296 T323 P324 F335Y295-F333 HydrophobicContact CE2-CB 3.77Å; Y295-F333 AromaticContact CE2-CD2 3.73Å; Y295-F333 HydrophobicContact CE2-CD2 3.73Å; Y295-F333 AromaticContact CE2-CG 4Å; Y295-F333 HydrophobicContact CE2-CG 4Å; V296-F333 CarbonylContact O-C 3.5Å; V296-F333 WeakPolarHBondContact O-CA 3.26Å; V296-F333 WeakPolarHBondContact O-CB 3.23Å; T323-F333 WeakPolarHBondContact CG2-O 3.4Å; P324-F333 HydrophobicContact CB-CE2 4.08Å; P324-F333 HydrophobicContact CB-CZ 4.09Å; P324-F333 HydrophobicContact CG-CE2 3.8Å; P324-F333 HydrophobicContact CG-CZ 4.32Å; F333-F335 HydrophobicContact CD2-CE2 4.18Å; F333-F335 HydrophobicContact CE2-CE2 4.06Å
334G90.4Very high80.6Confident1 Ų162.2 Ų62.21%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-159.1176.417700000112.5V296 V322V296-G334 PolarHBondContact N-O 3.49Å; V296-G334 PolarHBondContact O-N 2.8Å; V322-G334 CarbonylContact O-C 3.46Å; V322-G334 WeakPolarHBondContact O-CA 3.26Å
335F92.5Very high80.9Confident43 Ų4364 Ų6419%0.18935%0.347CS..EExtended strand (participates in β ladder)trans-126.2136179-60-87.4000110.2L294 Y295 I321 V322 P324 F333 A366L294-F335 WeakPolarHBondContact O-CA 3.38Å; Y295-F335 HydrophobicContact CD2-CD1 4.23Å; Y295-F335 AromaticContact CD2-CE1 3.65Å; Y295-F335 HydrophobicContact CD2-CE1 3.65Å; Y295-F335 AromaticContact CD2-CZ 3.89Å; Y295-F335 HydrophobicContact CD2-CZ 3.89Å; Y295-F335 HydrophobicContact CE2-CZ 4.33Å; Y295-F335 HydrophobicContact CG-CE1 4.45Å; I321-F335 WeakPolarHBondContact CA-O 3.41Å; V322-F335 HydrophobicContact CB-CB 4.43Å; V322-F335 PolarHBondContact N-O 3.31Å; V322-F335 PolarHBondContact O-N 2.83Å; P324-F335 HydrophobicContact CG-CD2 4.35Å; P324-F335 HydrophobicContact CG-CE2 4.2Å; F333-F335 HydrophobicContact CD2-CE2 4.18Å; F333-F335 HydrophobicContact CE2-CE2 4.06Å; F335-A366 HydrophobicContact CD1-CB 4.14Å; F335-A366 HydrophobicContact CE1-CB 4.43Å
336V92.5Very high81.6Confident2 Ų264.1 Ų64.11%0.01234%0.336CS..EExtended strand (participates in β ladder)trans-123.5114.3-179.9-179.50000108.2A293 L294 V296 F312 V318 I321 Y338A293-V336 CarbonylContact C-O 3.45Å; A293-V336 VanDerWaalsContact CA-O 3.26Å; A293-V336 WeakPolarHBondContact CA-O 3.22Å; L294-V336 HydrophobicContact CB-CB 4.34Å; L294-V336 PolarHBondContact N-O 2.85Å; L294-V336 PolarHBondContact O-N 3.18Å; V296-V336 HydrophobicContact CG2-CG2 3.92Å; F312-V336 HydrophobicContact CB-CG1 3.91Å; F312-V336 HydrophobicContact CD2-CG1 4.28Å; F312-V336 HydrophobicContact CD2-CG2 3.81Å; F312-V336 HydrophobicContact CE2-CG2 4.12Å; F312-V336 HydrophobicContact CG-CG1 4.11Å; F312-V336 HydrophobicContact CG-CG2 4.4Å; V318-V336 HydrophobicContact CG1-CG1 3.72Å; V318-V336 HydrophobicContact CG2-CG1 4.04Å; I321-V336 HydrophobicContact CG1-CG1 4.39Å; I321-V336 HydrophobicContact CG1-CG2 4.41Å; V336-Y338 HydrophobicContact CG1-CE2 4.46Å
337H91.8Very high82.7Confident64 Ų6463.7 Ų63.730%0.29633%0.331SS..EExtended strand (participates in β ladder)trans-96.3133.4179.6-61.1-115000109.9V318 T319 K320V318-H337 CarbonylContact C-O 3.5Å; V318-H337 WeakPolarHBondContact CA-O 3.21Å; T319-H337 PolarHBondContact N-O 2.72Å; T319-H337 PolarHBondContact OG1-O 2.77Å; K320-H337 HydrophobicContact CB-CB 4Å; K320-H337 PolarHBondContact N-O 3.17Å; K320-H337 PolarHBondContact O-N 2.63Å
338Y93.2Very high84.2Confident4 Ų455.5 Ų55.52%0.01630%0.3CS..EExtended strand (participates in β ladder)trans-100.5159.7170.9-73-83.5000111.8K292 L294 F312 G316 E317 V318 V336 E340 A344 A347K292-Y338 PolarHBondContact O-N 2.82Å; L294-Y338 HydrophobicContact CD1-CE2 3.71Å; L294-Y338 HydrophobicContact CG-CE2 3.98Å; F312-Y338 WeakPolarHBondContact CB-OH 3.42Å; F312-Y338 WeakPolarHBondContact O-CE1 3.27Å; F312-Y338 PolarHBondContact O-OH 3.05Å; G316-Y338 WeakPolarHBondContact O-CE1 3.41Å; E317-Y338 CarbonylContact O-C 3.58Å; E317-Y338 VanDerWaalsContact O-CA 3.24Å; E317-Y338 WeakPolarHBondContact O-CA 3.23Å; E317-Y338 WeakPolarHBondContact O-CD1 3.49Å; V318-Y338 HydrophobicContact CG2-CD1 4.04Å; V318-Y338 HydrophobicContact CG2-CE1 3.68Å; V336-Y338 HydrophobicContact CG1-CE2 4.46Å; Y338-E340 VanDerWaalsContact C-N 3.33Å; Y338-E340 VanDerWaalsContact CB-O 3.27Å; Y338-E340 WeakPolarHBondContact CB-O 3.38Å; Y338-A344 HydrophobicContact CD2-CB 3.84Å; Y338-A344 HydrophobicContact CE2-CB 4.38Å; Y338-A347 HydrophobicContact CE2-CB 4.35Å
339A89.5Confident85.1Confident36 Ų3660.7 Ų60.730%0.29830%0.3SS..SBendtrans-66.2-37167.300000111.7K292 E317 T319K292-A339 WeakPolarHBondContact CD-O 3.47Å; K292-A339 WeakPolarHBondContact CE-O 3.1Å; K292-A339 PolarHBondContact NZ-O 2.84Å; E317-A339 HydrophobicContact CB-CB 4.2Å; E317-A339 PolarHBondContact O-N 3.01Å; T319-A339 HydrophobicContact CG2-CB 3.81Å
340E88.3Confident85.4Confident115 Ų11561.7 Ų61.754%0.53729%0.294SS..  trans-118.9147.7-178-65-175.2-158.800113Y338 S342Y338-E340 VanDerWaalsContact C-N 3.33Å; Y338-E340 VanDerWaalsContact CB-O 3.27Å; Y338-E340 WeakPolarHBondContact CB-O 3.38Å; E340-S342 VanDerWaalsContact C-N 3.31Å; E340-S342 VanDerWaalsContact CB-OG 3.27Å; E340-S342 WeakPolarHBondContact CB-OG 3.36Å; E340-S342 PolarHBondContact OE2-OG 2.98Å
341R88.9Confident85.3Confident90 Ų9061.7 Ų61.734%0.3431%0.306SS..Hα-helixtrans-68.9-30.6171.3179.7174.6176.6-138.4-4.8112.3A289 K292 S343 A344 L345A289-R341 WeakPolarHBondContact O-CD 3.3Å; A289-R341 PolarHBondContact O-NE 3.01Å; A289-R341 VanDerWaalsContact O-NE 3.08Å; A289-R341 PolarHBondContact O-NH1 3.37Å; K292-R341 HydrophobicContact CG-CB 4.33Å; R341-S343 VanDerWaalsContact C-N 3.26Å; R341-S343 PolarHBondContact O-N 3.4Å; R341-A344 PolarHBondContact O-N 2.79Å; R341-L345 HydrophobicContact CG-CD1 4.02Å; R341-L345 HydrophobicContact CG-CG 4.19Å; R341-L345 WeakPolarHBondContact O-CG 3.48Å; R341-L345 PolarHBondContact O-N 2.77Å
342S88.4Confident85Confident44 Ų4461.2 Ų61.231%0.30831%0.308SS..Hα-helixtrans-51.8-45.9176.465.80000111.4E340 L345 K346E340-S342 VanDerWaalsContact C-N 3.31Å; E340-S342 VanDerWaalsContact CB-OG 3.27Å; E340-S342 WeakPolarHBondContact CB-OG 3.36Å; E340-S342 PolarHBondContact OE2-OG 2.98Å; S342-L345 PolarHBondContact O-N 3.45Å; S342-K346 WeakPolarHBondContact O-CG 3.48Å; S342-K346 PolarHBondContact O-N 2.78Å
343S90.7Very high84.8Confident6 Ų667.1 Ų67.14%0.04233%0.325CS..Hα-helixtrans-66.9-42.7179.9-49.70000112.6H315 R341 K346 A347H315-S343 WeakPolarHBondContact O-CB 3.48Å; H315-S343 PolarHBondContact O-OG 3.06Å; R341-S343 VanDerWaalsContact C-N 3.26Å; R341-S343 PolarHBondContact O-N 3.4Å; S343-K346 PolarHBondContact O-N 3.39Å; S343-A347 WeakPolarHBondContact O-CB 3.47Å; S343-A347 PolarHBondContact O-N 3.01Å
344A88.9Confident84.5Confident0 Ų065.2 Ų65.20%032%0.316CS..Hα-helixtrans-63.8-40.4174.400000111.9L294 Y338 R341 A347 V348 L365L294-A344 HydrophobicContact CD2-CB 4.09Å; Y338-A344 HydrophobicContact CD2-CB 3.84Å; Y338-A344 HydrophobicContact CE2-CB 4.38Å; R341-A344 PolarHBondContact O-N 2.79Å; A344-A347 PolarHBondContact O-N 2.79Å; A344-V348 PolarHBondContact O-N 3.25Å; A344-L365 HydrophobicContact CB-CD2 4.37Å
345L86.9Confident84.2Confident72 Ų7270.4 Ų70.438%0.37734%0.34SS..Hα-helixtrans-67.6-40.9176.2-71173.1000112.3R341 S342 V348 K349 L365R341-L345 HydrophobicContact CG-CD1 4.02Å; R341-L345 HydrophobicContact CG-CG 4.19Å; R341-L345 WeakPolarHBondContact O-CG 3.48Å; R341-L345 PolarHBondContact O-N 2.77Å; S342-L345 PolarHBondContact O-N 3.45Å; L345-V348 PolarHBondContact O-N 3.27Å; L345-K349 WeakPolarHBondContact O-CB 3.3Å; L345-K349 PolarHBondContact O-N 3.06Å; L345-L365 HydrophobicContact CD2-CD1 4.13Å
346K87.4Confident83.6Confident115 Ų11568.8 Ų68.850%0.533%0.334SS..Hα-helixtrans-56.5-51.1172.5-74.7169.1-176.6172.20110.7H315 S342 S343 V348 K349 D350H315-K346 HydrophobicContact CB-CB 4.18Å; S342-K346 WeakPolarHBondContact O-CG 3.48Å; S342-K346 PolarHBondContact O-N 2.78Å; S343-K346 PolarHBondContact O-N 3.39Å; K346-V348 PolarHBondContact O-N 3.45Å; K346-K349 PolarHBondContact O-N 3.44Å; K346-K349 VanDerWaalsContact O-N 3.16Å; K346-D350 WeakPolarHBondContact O-CB 3.17Å; K346-D350 PolarHBondContact O-N 2.9Å
347A87.4Confident82.9Confident1 Ų174 Ų741%0.00836%0.361CS..Hα-helixtrans-65-19.5-177.600000115.4L294 H315 Y338 S343 A344 Y354L294-A347 HydrophobicContact CD1-CB 3.76Å; H315-A347 HydrophobicContact CB-CB 4.11Å; Y338-A347 HydrophobicContact CE2-CB 4.35Å; S343-A347 WeakPolarHBondContact O-CB 3.47Å; S343-A347 PolarHBondContact O-N 3.01Å; A344-A347 PolarHBondContact O-N 2.79Å; A347-Y354 VanDerWaalsContact CA-OH 3.23Å; A347-Y354 WeakPolarHBondContact CA-OH 3.17Å; A347-Y354 WeakPolarHBondContact CB-OH 3.36Å; A347-Y354 WeakPolarHBondContact O-CE2 3.47Å; A347-Y354 PolarHBondContact O-OH 3.02Å
348V86.8Confident82.3Confident57 Ų5773.9 Ų73.935%0.34538%0.378SS..Hα-helixtrans-95.6-29.9173.5175.80000112L294 A344 L345 K346 V363 L365L294-V348 HydrophobicContact CD2-CG2 3.47Å; L294-V348 VanDerWaalsContact CD2-CG2 3.47Å; A344-V348 PolarHBondContact O-N 3.25Å; L345-V348 PolarHBondContact O-N 3.27Å; K346-V348 PolarHBondContact O-N 3.45Å; V348-V363 HydrophobicContact CG2-CG1 4.31Å; V348-L365 HydrophobicContact CG2-CG 4.34Å
349K80.6Confident81.6Confident187 Ų18777.7 Ų77.781%0.81340%0.396SS*.Hα-helixtrans-82.5-27.6-179.4-170175.4-179.3-178.50112.6L345 K346 T351L345-K349 WeakPolarHBondContact O-CB 3.3Å; L345-K349 PolarHBondContact O-N 3.06Å; K346-K349 PolarHBondContact O-N 3.44Å; K346-K349 VanDerWaalsContact O-N 3.16Å; K349-T351 PolarHBondContact O-N 3.21Å
350D67.4Low81.5Confident72 Ų7278.9 Ų78.939%0.38540%0.401SS..  trans-62.4119.1171.7-88.1-41.1000109.9H315 K346 E352H315-D350 IonicContact CE1-OD2 3.79Å; H315-D350 PolarHBondContact CE1-OD2 3.09Å; H315-D350 IonicContact ND1-OD2 2.68Å; H315-D350 PolarHBondContact ND1-OD2 2.92Å; K346-D350 WeakPolarHBondContact O-CB 3.17Å; K346-D350 PolarHBondContact O-N 2.9Å; D350-E352 PolarHBondContact O-N 3.47Å; D350-E352 VanDerWaalsContact O-N 3.09Å
351T58.7Low81.5Confident140 Ų14074.1 Ų74.186%0.85938%0.379SS*.  trans-70.74.8174.340.60000113.5K349 R353K349-T351 PolarHBondContact O-N 3.21Å; T351-R353 PolarHBondContact O-N 2.77Å
352E65.4Low81.4Confident108 Ų10874.2 Ų74.251%0.50538%0.383SS..  trans-65114.8172.3-67.7-160.614200110.1R314 D350 Y354R314-E352 IonicContact CZ-OE2 2.58Å; R314-E352 IonicContact NH1-OE2 3.01Å; R314-E352 PolarHBondContact NH1-OE2 3.08Å; D350-E352 PolarHBondContact O-N 3.47Å; D350-E352 VanDerWaalsContact O-N 3.09Å; E352-Y354 WeakPolarHBondContact O-CD2 3.43Å; E352-Y354 PolarHBondContact O-N 3.15Å; E352-Y354 VanDerWaalsContact O-N 3.09Å
353R76Confident81.5Confident205 Ų20573.4 Ų73.477%0.77438%0.376SS*.  trans-67.9110.6168.9-69.2-176.1177.9-176.7-0.2108.7T351 E355T351-R353 PolarHBondContact O-N 2.77Å; R353-E355 PolarHBondContact O-N 3.27Å
354Y82.9Confident81.3Confident7 Ų776.2 Ų76.23%0.02739%0.393CS..  trans-62.8117.5167.9-60-95.4000108.6F312 R314 H315 A347 E352 P360 L361 V363F312-Y354 HydrophobicContact CD1-CD1 4.32Å; F312-Y354 AromaticContact CD1-CE1 3.84Å; F312-Y354 HydrophobicContact CD1-CE1 3.84Å; F312-Y354 AromaticContact CE1-CD1 3.72Å; F312-Y354 HydrophobicContact CE1-CD1 3.72Å; F312-Y354 HydrophobicContact CE1-CD2 4.49Å; F312-Y354 AromaticContact CE1-CE1 3.53Å; F312-Y354 HydrophobicContact CE1-CE1 3.53Å; F312-Y354 HydrophobicContact CE1-CE2 4.31Å; F312-Y354 HydrophobicContact CE1-CG 4.24Å; F312-Y354 AromaticContact CE1-CZ 3.85Å; F312-Y354 HydrophobicContact CZ-CD1 4.02Å; F312-Y354 HydrophobicContact CZ-CE1 4.3Å; F312-Y354 HydrophobicContact CZ-CG 4.34Å; R314-Y354 VanDerWaalsContact NH2-CE1 3.28Å; H315-Y354 PolarHBondContact CD2-OH 2.87Å; H315-Y354 VanDerWaalsContact CD2-OH 3.3Å; H315-Y354 PolarHBondContact CE1-OH 3.49Å; H315-Y354 VanDerWaalsContact CE1-OH 3.22Å; H315-Y354 AromaticContact NE2-CE1 3.52Å; H315-Y354 AromaticContact NE2-CZ 3.5Å; H315-Y354 PolarHBondContact NE2-OH 2.75Å; A347-Y354 VanDerWaalsContact CA-OH 3.23Å; A347-Y354 WeakPolarHBondContact CA-OH 3.17Å; A347-Y354 WeakPolarHBondContact CB-OH 3.36Å; A347-Y354 WeakPolarHBondContact O-CE2 3.47Å; A347-Y354 PolarHBondContact O-OH 3.02Å; E352-Y354 WeakPolarHBondContact O-CD2 3.43Å; E352-Y354 PolarHBondContact O-N 3.15Å; E352-Y354 VanDerWaalsContact O-N 3.09Å; Y354-P360 CarbonylContact O-C 3.52Å; Y354-P360 WeakPolarHBondContact O-CA 3.22Å; Y354-L361 PolarHBondContact O-N 2.91Å; Y354-V363 HydrophobicContact CD2-CB 4.27Å; Y354-V363 HydrophobicContact CD2-CG2 3.55Å; Y354-V363 HydrophobicContact CE2-CB 4.33Å; Y354-V363 HydrophobicContact CE2-CG1 4.49Å; Y354-V363 HydrophobicContact CE2-CG2 4.01Å; Y354-V363 HydrophobicContact CG-CG2 4.07Å
355E83.6Confident81.4Confident111 Ų11179 Ų7952%0.51941%0.408SS..EExtended strand (participates in β ladder)trans-120133.9175.9-65.1-169.6172.600110.3R353 Q359 P360R353-E355 PolarHBondContact O-N 3.27Å; E355-Q359 WeakPolarHBondContact CA-O 3.39Å; E355-P360 HydrophobicContact CG-CB 4.24Å
356V81Confident81.4Confident8 Ų876 Ų765%0.04839%0.393CS..EExtended strand (participates in β ladder)trans-130.4123.8178.4-1690000108.7P300 T303 L311 G358 Q359 L361P300-V356 HydrophobicContact CG-CB 4.07Å; P300-V356 HydrophobicContact CG-CG1 4.27Å; P300-V356 WeakPolarHBondContact CG-O 3.41Å; T303-V356 HydrophobicContact CG2-CG1 3.82Å; L311-V356 HydrophobicContact CD1-CG2 3.36Å; V356-G358 PolarHBondContact O-N 3.45Å; V356-G358 VanDerWaalsContact O-N 3.11Å; V356-Q359 PolarHBondContact N-O 3.01Å; V356-Q359 PolarHBondContact O-N 2.58Å; V356-L361 HydrophobicContact CB-CD2 4.49Å; V356-L361 HydrophobicContact CG2-CD1 3.67Å; V356-L361 HydrophobicContact CG2-CD2 4.12Å; V356-L361 HydrophobicContact CG2-CG 3.94Å
357N77.8Confident81.3Confident111 Ų11178.5 Ų78.559%0.59440%0.404SS*.THydrogen-bonded Turntrans52.230.8-174.7-57.3-49.2000113.4P300 Q359P300-N357 HydrophobicContact CG-CB 4.47Å; N357-Q359 VanDerWaalsContact C-N 3.34Å
358G77.7Confident80.6Confident63 Ų6380.2 Ų80.265%0.64942%0.415SS*.THydrogen-bonded Turntrans7711.2-176.900000115.3V356V356-G358 PolarHBondContact O-N 3.45Å; V356-G358 VanDerWaalsContact O-N 3.11Å
359Q80.4Confident79.6Confident84 Ų8485.3 Ų85.339%0.39344%0.435SS..EExtended strand (participates in β ladder)trans-105.2127.6170.1-56-164.5-74.100110.2P300 E355 V356 N357P300-Q359 HydrophobicContact CG-CB 4.2Å; P300-Q359 HydrophobicContact CG-CG 4.4Å; E355-Q359 WeakPolarHBondContact CA-O 3.39Å; V356-Q359 PolarHBondContact N-O 3.01Å; V356-Q359 PolarHBondContact O-N 2.58Å; N357-Q359 VanDerWaalsContact C-N 3.34Å
360P87.3Confident78.5Confident60 Ų6080.5 Ų80.539%0.3943%0.43SS..EExtended strand (participates in β ladder)trans-73.4129.7175.229.6-33.7000110.7N298 Y354 E355N298-P360 PolarHBondContact ND2-O 2.84Å; Y354-P360 CarbonylContact O-C 3.52Å; Y354-P360 WeakPolarHBondContact O-CA 3.22Å; E355-P360 HydrophobicContact CG-CB 4.24Å
361L87.5Confident77.7Confident15 Ų1585.3 Ų85.38%0.07945%0.45CS..  trans-81.6144.5171.6-50.4-176.9000110.1V296 K297 N298 I299 L308 F312 Y354 V356 V363V296-L361 HydrophobicContact CG1-CB 4.12Å; V296-L361 HydrophobicContact CG1-CD1 3.79Å; V296-L361 HydrophobicContact CG1-CG 4.42Å; K297-L361 WeakPolarHBondContact O-CA 3.4Å; N298-L361 WeakPolarHBondContact O-CD2 3.41Å; I299-L361 HydrophobicContact CG1-CD2 4.33Å; L308-L361 HydrophobicContact CD2-CD1 4.24Å; F312-L361 HydrophobicContact CE2-CD1 4.4Å; F312-L361 HydrophobicContact CZ-CD1 4.4Å; Y354-L361 PolarHBondContact O-N 2.91Å; V356-L361 HydrophobicContact CB-CD2 4.49Å; V356-L361 HydrophobicContact CG2-CD1 3.67Å; V356-L361 HydrophobicContact CG2-CD2 4.12Å; V356-L361 HydrophobicContact CG2-CG 3.94Å; L361-V363 HydrophobicContact CB-CG2 4.29Å
362E86.8Confident76.9Confident92 Ų9290.1 Ų90.143%0.4345%0.453SS..EExtended strand (participates in β ladder)trans-98.9113.2171.2-179.8-178153.900108V296 K297 V364V296-E362 CarbonylContact C-O 3.52Å; V296-E362 WeakPolarHBondContact CA-O 3.39Å; K297-E362 HydrophobicContact CB-CB 4.14Å; K297-E362 HydrophobicContact CG-CB 4.46Å; K297-E362 PolarHBondContact N-O 2.81Å; K297-E362 IonicContact NZ-OE1 3.28Å; K297-E362 PolarHBondContact NZ-OE1 2.89Å; K297-E362 IonicContact NZ-OE2 3.93Å; K297-E362 PolarHBondContact NZ-OE2 2.75Å; K297-E362 PolarHBondContact O-N 2.88Å; E362-V364 HydrophobicContact CG-CG2 4.39Å
363V89.5Confident75.5Confident27 Ų2793.5 Ų93.516%0.16447%0.466CS..EExtended strand (participates in β ladder)trans-113.7125.1-173.7-177.10000109.5L294 V296 F312 V348 Y354 L361L294-V363 HydrophobicContact CB-CG1 4.44Å; L294-V363 HydrophobicContact CD1-CG1 3.75Å; L294-V363 HydrophobicContact CD2-CG1 4.44Å; L294-V363 HydrophobicContact CG-CG1 4.45Å; V296-V363 HydrophobicContact CG1-CG2 4.41Å; V296-V363 HydrophobicContact CG2-CG2 4.49Å; F312-V363 HydrophobicContact CE1-CG1 4.09Å; F312-V363 HydrophobicContact CE1-CG2 4Å; F312-V363 HydrophobicContact CZ-CG1 4.49Å; F312-V363 HydrophobicContact CZ-CG2 3.78Å; V348-V363 HydrophobicContact CG2-CG1 4.31Å; Y354-V363 HydrophobicContact CD2-CB 4.27Å; Y354-V363 HydrophobicContact CD2-CG2 3.55Å; Y354-V363 HydrophobicContact CE2-CB 4.33Å; Y354-V363 HydrophobicContact CE2-CG1 4.49Å; Y354-V363 HydrophobicContact CE2-CG2 4.01Å; Y354-V363 HydrophobicContact CG-CG2 4.07Å; L361-V363 HydrophobicContact CB-CG2 4.29Å
364V88.5Confident73.7Confident65 Ų6590 Ų9039%0.39446%0.458SS..EExtended strand (participates in β ladder)trans-141.8157.1-178.1-159.70000108.6L294 Y295 E362 A366L294-V364 CarbonylContact C-O 3.58Å; L294-V364 WeakPolarHBondContact CA-O 3.48Å; Y295-V364 PolarHBondContact N-O 2.89Å; Y295-V364 PolarHBondContact O-N 2.81Å; E362-V364 HydrophobicContact CG-CG2 4.39Å; V364-A366 PolarHBondContact O-N 2.92Å
365L89.6Confident71.4Confident60 Ų6095.6 Ų95.631%0.31449%0.488SS..EExtended strand (participates in β ladder)trans-57.1135167.2-84.7164.6000110.3V291 A344 L345 V348V291-L365 HydrophobicContact CB-CD2 4.33Å; V291-L365 HydrophobicContact CG1-CD2 3.79Å; A344-L365 HydrophobicContact CB-CD2 4.37Å; L345-L365 HydrophobicContact CD2-CD1 4.13Å; V348-L365 HydrophobicContact CG2-CG 4.34Å
366A88.2Confident69.4Low8 Ų894.9 Ų94.97%0.06649%0.493CS..PPolyproline II helixtrans-64.6144.1174.800000109.9V291 A293 F335 V364V291-A366 HydrophobicContact CG1-CB 4.26Å; V291-A366 WeakPolarHBondContact CG1-O 3.5Å; A293-A366 HydrophobicContact CB-CB 3.85Å; A293-A366 VanDerWaalsContact O-CB 3.22Å; A293-A366 WeakPolarHBondContact O-CB 3.24Å; A293-A366 PolarHBondContact O-N 3.47Å; F335-A366 HydrophobicContact CD1-CB 4.14Å; F335-A366 HydrophobicContact CE1-CB 4.43Å; V364-A366 PolarHBondContact O-N 2.92Å
367K83.9Confident67.3Low167 Ų16799 Ų9973%0.72652%0.522SS*.PPolyproline II helixtrans-63131.4169.3-66.4-179.5-179.5178.80108Q369K367-Q369 PolarHBondContact O-N 3.2Å
368P72.2Confident65.3Low37 Ų3798.3 Ų98.324%0.2453%0.526CS..PPolyproline II helixtrans-57.4116.9176.122.6-31.7000108.2P282 A287 A288 V291 A370P282-P368 WeakPolarHBondContact O-CD 3.36Å; A287-P368 HydrophobicContact CB-CB 3.83Å; A287-P368 HydrophobicContact CB-CG 4.22Å; A288-P368 HydrophobicContact CB-CG 4.47Å; V291-P368 HydrophobicContact CG2-CB 3.81Å; V291-P368 HydrophobicContact CG2-CG 4.34Å; P368-A370 PolarHBondContact O-N 3.48Å
369Q67.5Low63.5Low164 Ų164102.5 Ų102.577%0.76652%0.523SS*.  trans-69.2114164.3-64.4-164.8-0.700104.9K367 E371K367-Q369 PolarHBondContact O-N 3.2Å; Q369-E371 PolarHBondContact O-N 3.41Å
370A56.8Low61.4Low86 Ų86103.2 Ų103.271%0.71154%0.538SS*.  trans-51.1121.1163.500000105.9P368 R372P368-A370 PolarHBondContact O-N 3.48Å; A370-R372 VanDerWaalsContact C-N 3.32Å; A370-R372 PolarHBondContact O-N 3.3Å
371E50Low58.9Low174 Ų174106.9 Ų106.981%0.81355%0.545SS*.  trans-55.9104.2179-71.1-174.1167.300107.2Q369 K373Q369-E371 PolarHBondContact O-N 3.41Å; E371-K373 PolarHBondContact O-N 3.27Å
372R42Very low56.6Low240 Ų240108.7 Ų108.791%0.90657%0.568SS**  trans-67.887.9155.3-67.4-139.9-173.4-170.14.5103.8A370 H374A370-R372 VanDerWaalsContact C-N 3.32Å; A370-R372 PolarHBondContact O-N 3.3Å; R372-H374 PolarHBondContact O-N 3.1Å
373K36.3Very low54.2Low180 Ų180108.6 Ų108.678%0.78358%0.582SS**  trans-39.9119.9158.2-77.4-166.3171.7-167.70104.9E371 D375E371-K373 PolarHBondContact O-N 3.27Å; K373-D375 PolarHBondContact O-N 2.87Å
374H37.2Very low52Low132 Ų132111.3 Ų111.361%0.61161%0.608SS**  trans-73.181.1-177-174.660.8000106.6R372 P376 Y379R372-H374 PolarHBondContact O-N 3.1Å; H374-P376 WeakPolarHBondContact O-CD 3.27Å; H374-Y379 PolarHBondContact CE1-OH 3.25Å; H374-Y379 VanDerWaalsContact CE1-OH 3.3Å; H374-Y379 PolarHBondContact NE2-OH 2.62Å
375D35.2Very low50Low124 Ų124113.9 Ų113.966%0.66363%0.626SS**  trans-60.8111166.5-157.3-17.7000105.3K373 S377K373-D375 PolarHBondContact O-N 2.87Å; D375-S377 PolarHBondContact O-N 3.46Å
376P41Very low47.8Very low95 Ų95118 Ų11862%0.61765%0.653SS**SBendtrans-66.9-2.5-167-22.435.1000114.1H374 S378H374-P376 WeakPolarHBondContact O-CD 3.27Å; P376-S378 VanDerWaalsContact C-N 3.25Å; P376-S378 PolarHBondContact O-N 2.97Å
377S38.8Very low45.5Very low94 Ų94123 Ų12366%0.65769%0.685SS**  trans-78.327-169.1-170.10000115.6D375D375-S377 PolarHBondContact O-N 3.46Å
378S35.7Very low43.5Very low97 Ų97119.3 Ų119.368%0.67869%0.686SS**  trans-130.948-173.6-175.20000114.6P376P376-S378 VanDerWaalsContact C-N 3.25Å; P376-S378 PolarHBondContact O-N 2.97Å
379Y39.3Very low42.1Very low151 Ų151122.4 Ų122.459%0.59271%0.706SS**  trans-129.1104.3164.5-54.6-77.3000107.4H374H374-Y379 PolarHBondContact CE1-OH 3.25Å; H374-Y379 VanDerWaalsContact CE1-OH 3.3Å; H374-Y379 PolarHBondContact NE2-OH 2.62Å
380S36.4Very low40.8Very low99 Ų99124 Ų12469%0.69271%0.711SS**  84.1103.487.4-175.90000112
381Y35Very low40Very low137 Ų137126.8 Ų126.854%0.53772%0.719SS.*  trans-103.4123.8-161.3-63.8-83.2000111.7E22 D23E22-Y381 HydrophobicContact CB-CD1 4.18Å; D23-Y381 WeakPolarHBondContact O-CA 3.43Å; D23-Y381 WeakPolarHBondContact O-CD1 3.37Å
382G38.8Very low39.7Very low54 Ų54126.9 Ų126.956%0.55772%0.719SS**  trans166.9136.1171.800000114.4D23D23-G382 VanDerWaalsContact OD2-CA 3.27Å; D23-G382 WeakPolarHBondContact OD2-CA 3.33Å
383A36.8Very low40Very low89 Ų89120.9 Ų120.974%0.73671%0.711SS**  cis-162.6131.6-0.400000115.5D23D23-A383 WeakPolarHBondContact OD1-CA 3.47Å
384A42.2Very low40.3Very low85 Ų85118.1 Ų118.170%0.70271%0.709SS**  trans85.2152.8154.400000121.9D23D23-A384 PolarHBondContact OD1-N 2.78Å
385P47.2Very low40.6Very low119 Ų119121.1 Ų121.177%0.77372%0.721SS**  trans-118.1169.2-160.342.8-32.2000116.5
386T42.4Very low41Very low146 Ų146118.6 Ų118.690%0.89672%0.724SS**  trans-164.6161.8154.714.20000111.6
387P39.8Very low40.9Very low113 Ų113117.3 Ų117.373%0.73473%0.728SS**  trans-118156.5-138.141.5-36000119.2
388A43.9Very low41Very low90 Ų90123.3 Ų123.374%0.74474%0.742SS**  trans35.913913900000120.3
389P42.6Very low41.4Very low102 Ų102122.8 Ų122.866%0.66274%0.744SS**  -160.5152.171.336.2-13.3000121
390F38.9Very low41.3Very low197 Ų197120.4 Ų120.486%0.86476%0.756SS**  trans52149.7149.6-44-48.5000119.5
391V40.8Very low41.5Very low144 Ų144120.2 Ų120.287%0.87376%0.76SS**  -160.8150.352.4-1550000111.7
392H43.1Very low42Very low177 Ų177118.7 Ų118.782%0.81977%0.767SS**  trans-92.6169.7169.1-93.5-72.3000112.9
393P49.4Very low42Very low113 Ų113127.2 Ų127.273%0.73478%0.784SS**  -149.1142.9107.336-18.6000118
394T41.5Very low41.9Very low123 Ų123126.3 Ų126.376%0.75578%0.783SS**  72.4148127.9-139.10000120.8
395F43.7Very low41.7Very low195 Ų195126.9 Ų126.986%0.85579%0.788SS**  cis-157136.416.3-177.5-101.8000114.8
396G43.5Very low41.3Very low70 Ų70130.7 Ų130.772%0.72280%0.798SS**  trans69.2138.2145.200000122
397G40.1Very low40.9Very low68 Ų68127.5 Ų127.570%0.70179%0.794SS**  cis165.7156.5-900000115.1
398F40.4Very low40.8Very low220 Ų220127.6 Ų127.697%0.96580%0.804SS**  trans62.8152.2169.1-81-111.6000117.9
399A43.5Very low40.3Very low87 Ų87127.3 Ų127.372%0.71981%0.81SS**  cis-179159.3-18.800000108
400A37.6Very low39.8Very low101 Ų101131.5 Ų131.584%0.83583%0.826SS**  cis-166.3177.6-18.300000109.5
401A40.3Very low39.7Very low94 Ų94125.5 Ų125.578%0.77782%0.819SS**  trans-92.1-169.5173.400000111.2
402P45.5Very low39.4Very low105 Ų105127 Ų12768%0.68282%0.821SS**  cis-149.7-168.238.231.9-3.5000117.8
403Y37.9Very low39Very low234 Ų234123.5 Ų123.592%0.91882%0.822SS**  trans72.7138173.6-69.3-95.8000117.7
404G35.1Very low38.5Very low70 Ų70121.4 Ų121.472%0.72282%0.822SS**  cis158.1154.2-6.900000113.7
405A38.4Very low38.5Very low97 Ų97119 Ų11980%0.80281%0.81SS**  trans80104.3165.400000121.3
406M39.2Very low38.3Very low199 Ų199117 Ų11798%0.9880%0.801SS**  58.6135.1127.3-63.6-168.1172.200123.1
407G34.4Very low38.2Very low78 Ų78117.6 Ų117.680%0.80479%0.794SS**  trans142.191135.700000117
408A36.7Very low38.1Very low115 Ų115119.7 Ų119.795%0.9579%0.786SS**  trans-53.3153.7-179.500000117.9
409G34.4Very low38.3Very low85 Ų85113 Ų11388%0.87676%0.764SS**  trans171.2112.6163.600000113.3
410L31.6Very low38Very low189 Ų189115 Ų11599%0.9976%0.76SS**  trans-106.5141.6-169.9-165.580.6000112.9
411G37.6Very low38.4Very low71 Ų71114.6 Ų114.673%0.73274%0.743SS**  trans144.9120.5160.300000116.2
412I33.1Very low38.5Very low177 Ų177119.9 Ų119.991%0.90874%0.744SS**  trans-137.5150.2-179.4-55.6175.5000110.9
413A36.1Very low38.5Very low102 Ų102117.4 Ų117.484%0.84374%0.738SS**  trans-151.1144.1163.400000113.2
414G39.2Very low38.7Very low70 Ų70119 Ų11972%0.72274%0.743SS**  trans117.573.3148.600000123.6
415S40.3Very low39.4Very low72 Ų72118.2 Ų118.250%0.50373%0.734SS.*  39.1148.3129.456.20000128.8A457S415-A457 VanDerWaalsContact O-CB 3.27Å; S415-A457 WeakPolarHBondContact O-CB 3.27Å
416F40.3Very low40.1Very low153 Ų153118.8 Ų118.867%0.67174%0.739SS**  trans93.7106.9152.2-62.8-77.6000126.3A457F416-A457 HydrophobicContact CB-CB 4.05Å; F416-A457 HydrophobicContact CD2-CB 3.92Å; F416-A457 HydrophobicContact CG-CB 4.45Å
417S40.9Very low40.9Very low82 Ų82114 Ų11457%0.57372%0.716SS**  91.4129.8113.993.30000128.5
418Q38.7Very low42.1Very low113 Ų113114 Ų11453%0.52870%0.701SS.*  trans75.3158.1149-54.7-51.7-29.600123.7M436Q418-M436 VanDerWaalsContact C-SD 3.5Å; Q418-M436 WeakPolarHBondContact CA-SD 3.35Å; Q418-M436 PolarHBondContact N-SD 3.15Å; Q418-M436 WeakPolarHBondContact O-CE 3.33Å
419P43Very low43.4Very low78 Ų78116.2 Ų116.251%0.50670%0.703SS.*  cis-147.7143.9-3939.2-19.4000119.8V446P419-V446 WeakPolarHBondContact O-CG1 3.35Å
420M38Very low45.1Very low129 Ų129114.4 Ų114.464%0.63568%0.684SS**  trans45134.9157.8-80.5-74.3-15300126.2
421I46.4Very low47Very low94 Ų94108.4 Ų108.448%0.48265%0.652SS.*  170.8152.2128.8-90.6170.6000114Y445 L447I421-Y445 PolarHBondContact N-O 3.27Å; I421-L447 HydrophobicContact CB-CB 3.73Å; I421-L447 HydrophobicContact CG2-CB 3.57Å; I421-L447 HydrophobicContact CG2-CD2 3.66Å; I421-L447 HydrophobicContact CG2-CG 4.27Å
422Y41.2Very low48.7Very low204 Ų204111.6 Ų111.680%0.865%0.648SS**  trans-90.5160.4-167.8-82.7-118.1000117.3
423G45.1Very low50.9Low54 Ų54106 Ų10656%0.55762%0.619SS**  trans147.1117.6143.600000118.1G425G423-G425 VanDerWaalsContact C-N 3.28Å; G423-G425 PolarHBondContact O-N 3.07Å; G423-G425 VanDerWaalsContact O-N 3.11Å
424R42.5Very low52.9Low268 Ų268103.2 Ų103.2100%1.01159%0.591SS**SBendtrans-84.664.1169.3-160.9-165.3-140.5-95.58.9110.8
425G50.2Low55Low53 Ų53103.9 Ų103.955%0.54658%0.582SS.*SBendtrans-146.5167.5179.400000111.1G423 M427G423-G425 VanDerWaalsContact C-N 3.28Å; G423-G425 PolarHBondContact O-N 3.07Å; G423-G425 VanDerWaalsContact O-N 3.11Å; G425-M427 PolarHBondContact O-N 3.13Å
426A54.2Low56.9Low109 Ų109102.2 Ų102.290%0.90157%0.567SS**  trans-58.1113.5-178.900000110.7
427M54.8Low58.8Low99 Ų99101.5 Ų101.549%0.48857%0.57SS.*  trans-66.8135.4-173.5-63.3-150.8-69.800110.8G425 T429 M433 L447G425-M427 PolarHBondContact O-N 3.13Å; M427-T429 PolarHBondContact O-N 3.04Å; M427-M433 HydrophobicContact CE-CG 4.16Å; M427-M433 HydrophobicContact SD-CB 4.45Å; M427-M433 HydrophobicContact SD-CG 3.47Å; M427-M433 WeakPolarHBondContact SD-CG 3.25Å; M427-L447 HydrophobicContact SD-CD1 4.03Å
428P58.9Low60.7Low78 Ų78101.1 Ų101.151%0.50656%0.561SS.*  trans-55.5138174.8-24.534.1000111G430 M431P428-G430 PolarHBondContact O-N 2.91Å; P428-M431 HydrophobicContact CB-CG 4.48Å; P428-M431 HydrophobicContact CB-SD 4.07Å; P428-M431 HydrophobicContact CG-SD 3.94Å; P428-M431 PolarHBondContact O-N 3.3Å
429T65.5Low62.2Low160 Ų160102.4 Ų102.498%0.98258%0.579SS**THydrogen-bonded Turntrans-56.2111.4-176.7-44.70000110.6M427M427-T429 PolarHBondContact O-N 3.04Å
430G69.4Low64Low47 Ų47102.9 Ų102.949%0.48558%0.577SS.*THydrogen-bonded Turntrans111.3-8.6-18000000116P428 P450P428-G430 PolarHBondContact O-N 2.91Å; G430-P450 WeakPolarHBondContact O-CD 3.34Å; G430-P450 WeakPolarHBondContact O-CG 3.33Å
431M72Confident65.8Low64 Ų6499.8 Ų99.832%0.31558%0.579SS.*  trans-92.5133.4176.3-65-179.7176.500111.9P428 L447 Q449P428-M431 HydrophobicContact CB-CG 4.48Å; P428-M431 HydrophobicContact CB-SD 4.07Å; P428-M431 HydrophobicContact CG-SD 3.94Å; P428-M431 PolarHBondContact O-N 3.3Å; M431-L447 HydrophobicContact CB-CD1 3.79Å; M431-L447 HydrophobicContact CB-CD2 4.33Å; M431-L447 HydrophobicContact CB-CG 3.98Å; M431-L447 HydrophobicContact SD-CD2 3.63Å; M431-L447 HydrophobicContact SD-CG 4.18Å; M431-Q449 HydrophobicContact CE-CG 4.37Å
432Q73.8Confident67.5Low138 Ų138103.7 Ų103.765%0.64559%0.587SS**EExtended strand (participates in β ladder)trans-115.6132.4178.2-176.6171.4-16.100111Q448Q432-Q448 PolarHBondContact N-O 2.98Å; Q432-Q448 PolarHBondContact O-N 3.36Å
433M78.7Confident69.4Low60 Ų6098.1 Ų98.130%0.29657%0.574SS.*EExtended strand (participates in β ladder)trans-81131.4171.9-74.2-75.2-87.300110.6M427 Y445 V446 L447M427-M433 HydrophobicContact CE-CG 4.16Å; M427-M433 HydrophobicContact SD-CB 4.45Å; M427-M433 HydrophobicContact SD-CG 3.47Å; M427-M433 WeakPolarHBondContact SD-CG 3.25Å; M433-Y445 HydrophobicContact CE-CG 4.36Å; M433-V446 CarbonylContact C-O 3.56Å; M433-V446 WeakPolarHBondContact CA-O 3.49Å; M433-L447 HydrophobicContact CG-CD1 3.8Å; M433-L447 HydrophobicContact SD-CB 4.06Å; M433-L447 HydrophobicContact SD-CD1 3.65Å; M433-L447 HydrophobicContact SD-CG 4.47Å
434V78.1Confident71Confident43 Ų4396.5 Ų96.526%0.26156%0.558SS.*EExtended strand (participates in β ladder)trans-126.9127.8-178.8-174.70000109.5V446 Q448V434-V446 PolarHBondContact N-O 2.98Å; V434-V446 PolarHBondContact O-N 2.84Å; V434-Q448 HydrophobicContact CG2-CB 4.33Å
435P82.4Confident73Confident83 Ų8390.1 Ų90.154%0.53954%0.535SS..EExtended strand (participates in β ladder)trans-73148.7176.530-34.4000111.8V443 Y445P435-V443 HydrophobicContact CB-CG1 4.49Å; P435-Y445 HydrophobicContact CB-CD1 4.12Å; P435-Y445 HydrophobicContact CB-CE1 3.81Å
436M80.9Confident74.5Confident37 Ų3788.2 Ų88.218%0.18251%0.512CS..EExtended strand (participates in β ladder)trans-143.4129-178-173.1162-70.700111.4Q418 G444 V446Q418-M436 VanDerWaalsContact C-SD 3.5Å; Q418-M436 WeakPolarHBondContact CA-SD 3.35Å; Q418-M436 PolarHBondContact N-SD 3.15Å; Q418-M436 WeakPolarHBondContact O-CE 3.33Å; M436-G444 PolarHBondContact N-O 2.88Å; M436-G444 PolarHBondContact O-N 3.11Å; M436-V446 HydrophobicContact CB-CG2 3.92Å; M436-V446 HydrophobicContact CE-CG2 3.87Å; M436-V446 HydrophobicContact SD-CG2 3.95Å
437L80.9Confident75.6Confident139 Ų13985 Ų8573%0.72848%0.48SS*.EExtended strand (participates in β ladder)trans-76.2125.6168-115.469.8000109.9V443L437-V443 HydrophobicContact CD1-CG2 4.17Å
438L79.3Confident76.4Confident73 Ų7383.3 Ų83.338%0.38247%0.471SS..  trans-83.7157.1168.8-80.778.8000110.5D440 G441 R442L438-D440 WeakPolarHBondContact CB-OD1 3.23Å; L438-D440 PolarHBondContact O-N 2.83Å; L438-D440 VanDerWaalsContact O-N 3.08Å; L438-G441 PolarHBondContact O-N 2.96Å; L438-G441 VanDerWaalsContact O-N 3.15Å; L438-R442 PolarHBondContact N-O 2.94Å
439P71.9Confident76.6Confident141 Ų14185.5 Ų85.592%0.91647%0.474SS*.THydrogen-bonded Turntrans-62.2-11175.1-2334.7000115.3
440D79.2Confident76.5Confident88 Ų8882.8 Ų82.847%0.47146%0.459SS..THydrogen-bonded Turntrans-94.48.3177.967.8-2.2000113.4L438 R442L438-D440 WeakPolarHBondContact CB-OD1 3.23Å; L438-D440 PolarHBondContact O-N 2.83Å; L438-D440 VanDerWaalsContact O-N 3.08Å; D440-R442 VanDerWaalsContact C-N 3.31Å; D440-R442 PolarHBondContact O-N 2.89Å; D440-R442 VanDerWaalsContact OD1-CB 3.3Å; D440-R442 WeakPolarHBondContact OD1-CB 3.17Å; D440-R442 WeakPolarHBondContact OD1-CG 3.45Å; D440-R442 PolarHBondContact OD1-N 3.07Å; D440-R442 WeakPolarHBondContact OD2-CD 3.2Å; D440-R442 IonicContact OD2-NE 3.63Å
441G77.2Confident76.3Confident64 Ų6484.3 Ų84.366%0.6648%0.475SS*.SBendtrans82.2-0.7-179.800000115L438L438-G441 PolarHBondContact O-N 2.96Å; L438-G441 VanDerWaalsContact O-N 3.15Å
442R82.3Confident75.4Confident176 Ų17688.1 Ų88.166%0.66449%0.494SS*.  trans-84.3148.4179.8-59.4179.1179.7173.6-3.9111.8L438 D440L438-R442 PolarHBondContact N-O 2.94Å; D440-R442 VanDerWaalsContact C-N 3.31Å; D440-R442 PolarHBondContact O-N 2.89Å; D440-R442 VanDerWaalsContact OD1-CB 3.3Å; D440-R442 WeakPolarHBondContact OD1-CB 3.17Å; D440-R442 WeakPolarHBondContact OD1-CG 3.45Å; D440-R442 PolarHBondContact OD1-N 3.07Å; D440-R442 WeakPolarHBondContact OD2-CD 3.2Å; D440-R442 IonicContact OD2-NE 3.63Å
443V80.9Confident74.6Confident86 Ų8687.4 Ų87.452%0.52150%0.501SS..EExtended strand (participates in β ladder)trans-89.3109.8169.2-177.40000108.9P435 L437 Y445P435-V443 HydrophobicContact CB-CG1 4.49Å; L437-V443 HydrophobicContact CD1-CG2 4.17Å; V443-Y445 HydrophobicContact CG1-CE2 4Å
444G78.7Confident73.2Confident21 Ų2190.2 Ų90.222%0.21652%0.515CS..EExtended strand (participates in β ladder)trans-92.6164.4166.900000111.7M436M436-G444 PolarHBondContact N-O 2.88Å; M436-G444 PolarHBondContact O-N 3.11Å
445Y84.4Confident71.9Confident134 Ų13493 Ų9353%0.52554%0.542SS..EExtended strand (participates in β ladder)trans-124146.9171.4-71.6-94.4000111I421 M433 P435 V443I421-Y445 PolarHBondContact N-O 3.27Å; M433-Y445 HydrophobicContact CE-CG 4.36Å; P435-Y445 HydrophobicContact CB-CD1 4.12Å; P435-Y445 HydrophobicContact CB-CE1 3.81Å; V443-Y445 HydrophobicContact CG1-CE2 4Å
446V82.2Confident70.3Confident13 Ų1393.4 Ų93.48%0.07955%0.553CS.*EExtended strand (participates in β ladder)trans-128.4130.6-169.7179.70000110.3P419 M433 V434 M436P419-V446 WeakPolarHBondContact O-CG1 3.35Å; M433-V446 CarbonylContact C-O 3.56Å; M433-V446 WeakPolarHBondContact CA-O 3.49Å; V434-V446 PolarHBondContact N-O 2.98Å; V434-V446 PolarHBondContact O-N 2.84Å; M436-V446 HydrophobicContact CB-CG2 3.92Å; M436-V446 HydrophobicContact CE-CG2 3.87Å; M436-V446 HydrophobicContact SD-CG2 3.95Å
447L76.3Confident68.5Low41 Ų4193.6 Ų93.622%0.21556%0.56CS.*EExtended strand (participates in β ladder)trans-94.5108.8176.2-165.969.3000110.2I421 M427 M431 M433I421-L447 HydrophobicContact CB-CB 3.73Å; I421-L447 HydrophobicContact CG2-CB 3.57Å; I421-L447 HydrophobicContact CG2-CD2 3.66Å; I421-L447 HydrophobicContact CG2-CG 4.27Å; M427-L447 HydrophobicContact SD-CD1 4.03Å; M431-L447 HydrophobicContact CB-CD1 3.79Å; M431-L447 HydrophobicContact CB-CD2 4.33Å; M431-L447 HydrophobicContact CB-CG 3.98Å; M431-L447 HydrophobicContact SD-CD2 3.63Å; M431-L447 HydrophobicContact SD-CG 4.18Å; M433-L447 HydrophobicContact CG-CD1 3.8Å; M433-L447 HydrophobicContact SD-CB 4.06Å; M433-L447 HydrophobicContact SD-CD1 3.65Å; M433-L447 HydrophobicContact SD-CG 4.47Å
448Q71.4Confident66.7Low63 Ų6392.8 Ų92.829%0.29456%0.563SS.*EExtended strand (participates in β ladder)trans-97.7134.5-175.8-165.6171.219.700112Q432 V434Q432-Q448 PolarHBondContact N-O 2.98Å; Q432-Q448 PolarHBondContact O-N 3.36Å; V434-Q448 HydrophobicContact CG2-CB 4.33Å
449Q64.1Low64.9Low124 Ų12493.8 Ų93.858%0.57957%0.574SS**PPolyproline II helixtrans-84146.5169.5-69-172.96.500111.4M431M431-Q449 HydrophobicContact CE-CG 4.37Å
450P62.9Low63.6Low103 Ų10396.7 Ų96.767%0.66958%0.576SS**THydrogen-bonded Turntrans-68.1133.1172-15.430.8000110.9G430G430-P450 WeakPolarHBondContact O-CD 3.34Å; G430-P450 WeakPolarHBondContact O-CG 3.33Å
451G64.2Low61.7Low79 Ų79103.8 Ų103.881%0.81460%0.596SS**THydrogen-bonded Turntrans106.4-0.9168.100000116.6
452M53.2Low60Low144 Ų144105.9 Ų105.971%0.70960%0.598SS**  trans-99.5118.6166.9-66.1-170.782.900110.5
453P56.7Low57.9Low123 Ų123108.3 Ų108.380%0.79961%0.607SS**  trans-72.6131.1179.328.6-33.4000111.5A455P453-A455 PolarHBondContact O-N 2.78Å
454M50.3Low55.9Low119 Ų119113.9 Ų113.959%0.58662%0.619SS**  trans-70.8107169.5-66.4-73.4-82.700109.2A456M454-A456 PolarHBondContact O-N 3.28Å
455A51.6Low54.4Low102 Ų102118.4 Ų118.484%0.84364%0.638SS**  trans-80.1100.6174.300000110.1P453P453-A455 PolarHBondContact O-N 2.78Å
456A46.9Very low52.4Low91 Ų91118.5 Ų118.575%0.75265%0.648SS**  trans-72.6166175.700000113.1M454M454-A456 PolarHBondContact O-N 3.28Å
457A43.1Very low50.5Low41 Ų41127.9 Ų127.934%0.33968%0.682SS.*  trans-62173.7-179.700000114.2S415 F416S415-A457 VanDerWaalsContact O-CB 3.27Å; S415-A457 WeakPolarHBondContact O-CB 3.27Å; F416-A457 HydrophobicContact CB-CB 4.05Å; F416-A457 HydrophobicContact CD2-CB 3.92Å; F416-A457 HydrophobicContact CG-CB 4.45Å
458P44.8Very low48.9Very low123 Ų123133.9 Ų133.980%0.79971%0.714SS**  -151.3179.469.235.5-12000116.2
459P41.2Very low47.5Very low94 Ų94139.2 Ų139.261%0.6174%0.744SS**  trans-99.2143-175.936.3-32.4000114.6
460Q44.6Very low46.4Very low202 Ų202136.2 Ų136.294%0.94475%0.747SS**  trans-147.9153.1160.7-73.1-155.2-11.400114.3
461R39.2Very low45.4Very low236 Ų236136.9 Ų136.989%0.89175%0.754SS**  trans-88.1-170.5174.9-49.8176.1170.1-168.4-3.1110.5
462P41.5Very low44.6Very low109 Ų109138.4 Ų138.471%0.70875%0.752SS**  cis-127.9-166.6-30.124.1-0.3000112.4
463R37.5Very low44Very low226 Ų226135.7 Ų135.785%0.85376%0.761SS**  trans84.9117.2161.8-56.9-172.2176.3175.9-0.6117.5
464R40.1Very low43.4Very low204 Ų204132.9 Ų132.977%0.7776%0.755SS**  trans-130.6100.5148.1-167.7177.1-166.5175.47.4108.5
465N46.3Very low43.1Very low116 Ų116133.7 Ų133.762%0.6277%0.772SS**  trans-61.6144.5164.9-90.956.8000109.9
466D42.1Very low42.7Very low136 Ų136132 Ų13273%0.72776%0.764SS**  trans40.2115.2138.2-47.2-48.8000119
467R42.4Very low42.7Very low210 Ų210139 Ų13979%0.79277%0.771SS**  trans-131.5142.6148.5-79.4-171.7170-176.4-4.9109.9
468N41.7Very low42.9Very low167 Ų167142.9 Ų142.989%0.89379%0.787SS**  trans66.595172-86.912.1000117.8
469N42.7Very low43Very low174 Ų174143.1 Ų143.193%0.9378%0.781SS**  -168.2157.495.3-1614.8000110.7
470G40.7Very low43.4Very low62 Ų62143.1 Ų143.164%0.63978%0.783SS**  trans100.772.9157.700000119.5
471S43.1Very low43.6Very low116 Ų116141.3 Ų141.381%0.81177%0.774SS**  trans20.4122.5134.4-159.40000121.2
472S47Very low44.1Very low112 Ų112137 Ų13778%0.78377%0.765SS**  149.2133.7115.961.40000115.1
473G41.2Very low44.6Very low87 Ų87139.6 Ų139.690%0.89777%0.767SS**  trans70.8138.416700000117
474G42.6Very low45.2Very low64 Ų64135.7 Ų135.766%0.6676%0.763SS**  cis164.1147.7-3.200000110.5
475S44.9Very low45.5Very low135 Ų135129.2 Ų129.294%0.94476%0.76SS**  trans66.3138.4-176.476.40000116.6
476G42.7Very low45.6Very low67 Ų67130.3 Ų130.369%0.69177%0.766SS**  cis164.4153.4-11.400000112.9
477R46.3Very low45.9Very low238 Ų238135 Ų13590%0.89877%0.773SS**  trans72.1145.2174.6-55.8173.1176157.5-2.9115.1
478D47.9Very low46Very low123 Ų123128.7 Ų128.766%0.65877%0.773SS**  cis-157.7156.6-0.2-125.7-24.3000111.8
479N46.2Very low46.3Very low127 Ų127124.3 Ų124.368%0.67977%0.768SS**  trans51.4113.9148.2-64.6-29.3000121.6
480S50.6Low46.9Very low95 Ų95128.3 Ų128.366%0.66477%0.77SS**  66.6136.592.677.70000115.1
481H49.4Very low47.3Very low163 Ų163137.1 Ų137.176%0.75578%0.783SS**  cis-155.917130.7-108.1-52.1000112.4
482E49.7Very low47.8Very low146 Ų146142.1 Ų142.168%0.68279%0.786SS**  trans-29.1159.3156.4-67.8130.9101.100117.4
483H52.1Low48.2Very low163 Ų163147.5 Ų147.576%0.75579%0.789SS**  -176.4161.961.2-143.6-64.9000113.9
484D50.2Low49.1Very low145 Ų145147.7 Ų147.778%0.77578%0.775SS**  trans-20.5160.5172.6-75.7-60.7000125.5
485G45.4Very low49.6Very low68 Ų68159.1 Ų159.170%0.70180%0.8SS**  trans137.287.8141.600000114.4
486N48.2Very low49.8Very low139 Ų139160.4 Ų160.474%0.74379%0.793SS**  65.313668.5-162.714.4000116
487R48.7Very low50.2Low235 Ų235165.3 Ų165.389%0.88780%0.798SS**  trans72.1142.3179.7-49.6172.3178.9177.3-1.1113.7
488G44.5Very low50.4Low77 Ų77161.2 Ų161.279%0.79479%0.793SS**  cis179.4149.7-2.800000105.5
489G48.6Very low50.6Low75 Ų75163.5 Ų163.577%0.77380%0.801SS**  108113.350.700000109.8
490R54.3Low50.8Low258 Ų258165.8 Ų165.897%0.97481%0.808SS**  trans102.6134.8167.5-56.7-172.2-173.4-111.92118.9
491R50.3Low50.8Low246 Ų246170.5 Ų170.593%0.92882%0.818SS**  trans-76.2148.9173.3-55.4164.9172.8173.6-5.8111
492Y52.1Low50.9Low222 Ų222171 Ų17187%0.87182%0.822SS**  trans-157.7135.9133.4-148.4-108.1000112.5
493R56.6Low51Low225 Ų225172.9 Ų172.985%0.84983%0.833SS**  trans-120.1162.1156-94.4-175.3165.6-157.7-2.7104.6
494P60Low51Low90 Ų90173.8 Ų173.858%0.58484%0.84SS**  cis-134.4-174.27.940.2-22.2000113.6
495Y52.6Low51Low305 Ų305176.4 Ų176.4100%1.19685%0.845SS**  -135.30115.6-97.1-80.5000107.9

Retrieved 495 of 495 residues in 1669.3 ms (Link to these results)